7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine

C279H180F3N9O6 — CID 158792646

IUPAC7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine
SMILESCC(C)(C)c1cc2oc3c(N(c4ccccc4)c4ccccc4-c4cccc5ccccc45)ccc4c5c(-c6ccc(-c7ccccc7-c7cccc8cc9ccccc9cc78)cc6)ccc6oc7cc(N8Cc9cccc(-c%10ccccc%10)c9-c9ccccc98)cc(c(c1)c2c34)c7c65.CC(C)(C)c1ccc2c3ccc(-c4ccnc(-c5c6ccccc6cc6ccccc56)n4)c4oc5c(-c6ccc(-c7cccc(-c8cccnc8)c7)cc6)ccc(c6c7c(oc1c72)CC(N(c1ccc2c(ccc7cc(-c8ccccc8)ccc72)c1)c1cc2ccccc2c2ccccc12)C=6)c5c43.FC(F)(F)c1ccc(-c2ccc3c4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)cc5oc6cc(N7c8ccccc8C=CC7c7cccc8ccccc78)cc(c7cc(-c8cccc(-c9ccccc9-c9ccccc9)c8)cc8oc2c3c87)c6c54)cn1
InChIInChI=1S/C97H64N4O2.C95H64N2O2.C87H52F3N3O2/c1-97(2,3)84-45-44-80-79-42-43-82(85-46-48-99-96(100-85)88-74-26-11-8-19-63(74)51-64-20-9-12-27-75(64)88)94-91(79)92-81(41-40-76(93(92)103-94)59-32-30-58(31-33-59)60-22-15-23-61(49-60)68-24-16-47-98-56-68)83-54-70(55-87-89(83)90(80)95(84)102-87)101(86-53-65-21-7-10-25-71(65)77-28-13-14-29-78(77)86)69-37-39-73-67(52-69)35-34-66-50-62(36-38-72(66)73)57-17-5-4-6-18-57;1-95(2,3)66-53-80-81-55-68(96-57-65-30-22-38-71(59-23-6-4-7-24-59)88(65)77-37-17-18-41-82(77)96)56-87-91(81)93-85(98-87)50-48-72(61-45-43-60(44-46-61)70-34-14-15-35-73(70)75-40-21-29-64-51-62-26-10-11-27-63(62)52-79(64)75)89(93)78-47-49-84(94-92(78)90(80)86(54-66)99-94)97(67-31-8-5-9-32-67)83-42-19-16-36-76(83)74-39-20-28-58-25-12-13-33-69(58)74;88-87(89,90)81-42-38-58(51-91-81)67-39-40-71-73-47-61(92(60-27-5-2-6-28-60)77-45-57-23-8-11-32-66(57)68-33-14-15-34-70(68)77)49-79-82(73)83-74(48-62(50-80(83)94-79)93-75-36-16-9-22-54(75)37-41-76(93)69-35-18-24-53-21-7-10-30-64(53)69)72-44-59(46-78-84(72)85(71)86(67)95-78)55-25-17-26-56(43-55)65-31-13-12-29-63(65)52-19-3-1-4-20-52/h4-54,56,70H,55H2,1-3H3;4-56H,57H2,1-3H3;1-51,76H/b;81-80-,89-78-;73-71-,74-72-
InChIKeyISLWCGMRBTYJDZ-UNPCQDAASA-N
MW3811.56 g/mol
LogP77.56
Rot. Bonds27

About 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine

7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine (PubChem CID 158792646) has the molecular formula C279H180F3N9O6 and a molecular weight of 3811.56 g/mol. Its IUPAC name is 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine.

Molecular Properties

Compound Name7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine
PubChem CID158792646
Molecular FormulaC279H180F3N9O6
Molecular Weight3811.56 g/mol
Exact Mass3808.40
IUPAC Name7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine
SMILESCC(C)(C)c1cc2oc3c(N(c4ccccc4)c4ccccc4-c4cccc5ccccc45)ccc4c5c(-c6ccc(-c7ccccc7-c7cccc8cc9ccccc9cc78)cc6)ccc6oc7cc(N8Cc9cccc(-c%10ccccc%10)c9-c9ccccc98)cc(c(c1)c2c34)c7c65.CC(C)(C)c1ccc2c3ccc(-c4ccnc(-c5c6ccccc6cc6ccccc56)n4)c4oc5c(-c6ccc(-c7cccc(-c8cccnc8)c7)cc6)ccc(c6c7c(oc1c72)CC(N(c1ccc2c(ccc7cc(-c8ccccc8)ccc72)c1)c1cc2ccccc2c2ccccc12)C=6)c5c43.FC(F)(F)c1ccc(-c2ccc3c4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)cc5oc6cc(N7c8ccccc8C=CC7c7cccc8ccccc78)cc(c7cc(-c8cccc(-c9ccccc9-c9ccccc9)c8)cc8oc2c3c87)c6c54)cn1
InChIInChI=1S/C97H64N4O2.C95H64N2O2.C87H52F3N3O2/c1-97(2,3)84-45-44-80-79-42-43-82(85-46-48-99-96(100-85)88-74-26-11-8-19-63(74)51-64-20-9-12-27-75(64)88)94-91(79)92-81(41-40-76(93(92)103-94)59-32-30-58(31-33-59)60-22-15-23-61(49-60)68-24-16-47-98-56-68)83-54-70(55-87-89(83)90(80)95(84)102-87)101(86-53-65-21-7-10-25-71(65)77-28-13-14-29-78(77)86)69-37-39-73-67(52-69)35-34-66-50-62(36-38-72(66)73)57-17-5-4-6-18-57;1-95(2,3)66-53-80-81-55-68(96-57-65-30-22-38-71(59-23-6-4-7-24-59)88(65)77-37-17-18-41-82(77)96)56-87-91(81)93-85(98-87)50-48-72(61-45-43-60(44-46-61)70-34-14-15-35-73(70)75-40-21-29-64-51-62-26-10-11-27-63(62)52-79(64)75)89(93)78-47-49-84(94-92(78)90(80)86(54-66)99-94)97(67-31-8-5-9-32-67)83-42-19-16-36-76(83)74-39-20-28-58-25-12-13-33-69(58)74;88-87(89,90)81-42-38-58(51-91-81)67-39-40-71-73-47-61(92(60-27-5-2-6-28-60)77-45-57-23-8-11-32-66(57)68-33-14-15-34-70(68)77)49-79-82(73)83-74(48-62(50-80(83)94-79)93-75-36-16-9-22-54(75)37-41-76(93)69-35-18-24-53-21-7-10-30-64(53)69)72-44-59(46-78-84(72)85(71)86(67)95-78)55-25-17-26-56(43-55)65-31-13-12-29-63(65)52-19-3-1-4-20-52/h4-54,56,70H,55H2,1-3H3;4-56H,57H2,1-3H3;1-51,76H/b;81-80-,89-78-;73-71-,74-72-
InChIKeyISLWCGMRBTYJDZ-UNPCQDAASA-N
XLogP77.56
TPSA146.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003811.56
LogP ≤ 577.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine with MolForge

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Related Compounds

4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
27-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-18-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160000
7-Cyclopentyl-4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium;4-(1,7-difluoro-2,3-dimethyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(1,7-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium
CID 157595977
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574
2,4-Diphenyl-6-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-1,3,5-triazine;6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]quinoline;3-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
CID 157749525
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157838223
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[4-isocyano-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2-pyrimidin-2-ylcarbazole
CID 157879294
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;3-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 158351719
CID 158503161
CID 158503161
9,23-Bis[3-methyl-5-(trifluoromethyl)phenyl]-7,9,21,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene;9,23-di(dibenzofuran-3-yl)-7,9,21,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene
CID 159322276
7-Cyclopentyl-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;7-(cyclopentylmethyl)-4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-propan-2-ylquinazolin-3-ium;7-(2,2-dimethylpropyl)-4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium;4-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium
CID 159693364
12-[3-([1]Benzofuro[3,2-a]carbazol-12-yl)-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;methane;9-[4-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 159761729

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine?
The IUPAC name of 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine (CID 158792646) is 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine.
What is the SMILES notation for 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine?
The canonical SMILES for 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine is CC(C)(C)c1cc2oc3c(N(c4ccccc4)c4ccccc4-c4cccc5ccccc45)ccc4c5c(-c6ccc(-c7ccccc7-c7cccc8cc9ccccc9cc78)cc6)ccc6oc7cc(N8Cc9cccc(-c%10ccccc%10)c9-c9ccccc98)cc(c(c1)c2c34)c7c65.CC(C)(C)c1ccc2c3ccc(-c4ccnc(-c5c6ccccc6cc6ccccc56)n4)c4oc5c(-c6ccc(-c7cccc(-c8cccnc8)c7)cc6)ccc(c6c7c(oc1c72)CC(N(c1ccc2c(ccc7cc(-c8ccccc8)ccc72)c1)c1cc2ccccc2c2ccccc12)C=6)c5c43.FC(F)(F)c1ccc(-c2ccc3c4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)cc5oc6cc(N7c8ccccc8C=CC7c7cccc8ccccc78)cc(c7cc(-c8cccc(-c9ccccc9-c9ccccc9)c8)cc8oc2c3c87)c6c54)cn1.
What is the InChIKey of 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine?
The InChIKey is ISLWCGMRBTYJDZ-UNPCQDAASA-N. The full InChI is InChI=1S/C97H64N4O2.C95H64N2O2.C87H52F3N3O2/c1-97(2,3)84-45-44-80-79-42-43-82(85-46-48-99-96(100-85)88-74-26-11-8-19-63(74)51-64-20-9-12-27-75(64)88)94-91(79)92-81(41-40-76(93(92)103-94)59-32-30-58(31-33-59)60-22-15-23-61(49-60)68-24-16-47-98-56-68)83-54-70(55-87-89(83)90(80)95(84)102-87)101(86-53-65-21-7-10-25-71(65)77-28-13-14-29-78(77)86)69-37-39-73-67(52-69)35-34-66-50-62(36-38-72(66)73)57-17-5-4-6-18-57;1-95(2,3)66-53-80-81-55-68(96-57-65-30-22-38-71(59-23-6-4-7-24-59)88(65)77-37-17-18-41-82(77)96)56-87-91(81)93-85(98-87)50-48-72(61-45-43-60(44-46-61)70-34-14-15-35-73(70)75-40-21-29-64-51-62-26-10-11-27-63(62)52-79(64)75)89(93)78-47-49-84(94-92(78)90(80)86(54-66)99-94)97(67-31-8-5-9-32-67)83-42-19-16-36-76(83)74-39-20-28-58-25-12-13-33-69(58)74;88-87(89,90)81-42-38-58(51-91-81)67-39-40-71-73-47-61(92(60-27-5-2-6-28-60)77-45-57-23-8-11-32-66(57)68-33-14-15-34-70(68)77)49-79-82(73)83-74(48-62(50-80(83)94-79)93-75-36-16-9-22-54(75)37-41-76(93)69-35-18-24-53-21-7-10-30-64(53)69)72-44-59(46-78-84(72)85(71)86(67)95-78)55-25-17-26-56(43-55)65-31-13-12-29-63(65)52-19-3-1-4-20-52/h4-54,56,70H,55H2,1-3H3;4-56H,57H2,1-3H3;1-51,76H/b;81-80-,89-78-;73-71-,74-72-.
What are the key properties of 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine?
7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine has a molecular weight of 3811.56 g/mol, XLogP of 77.56, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-anthracen-1-ylphenyl)phenyl]-20-tert-butyl-N-(2-naphthalen-1-ylphenyl)-N-phenyl-15-(10-phenyl-6H-phenanthridin-5-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5(24),6,8,10,12(17),13,15,18(23),19,21-dodecaen-2-amine;14-(2-anthracen-9-ylpyrimidin-4-yl)-21-tert-butyl-N-phenanthren-9-yl-N-(7-phenylphenanthren-2-yl)-9-[4-(3-pyridin-3-ylphenyl)phenyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),4,6(11),7,9,12(17),13,15,18(23),19,21-undecaen-3-amine;20-(2-naphthalen-1-yl-2H-quinolin-1-yl)-N-phenanthren-9-yl-N-phenyl-15-[3-(2-phenylphenyl)phenyl]-9-[6-(trifluoromethyl)-3-pyridinyl]-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-3-amine is sourced from PubChem (CID 158792646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).