6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine

C308H232N16O8 — CID 159601904

IUPAC6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7ccc8c9ccccc9n(-c9ccc(C(C)(C)C)cc9)c8c7)cc6oc45)cc32)cc1.CC(C)(C)c1cccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7cccc(C(C)(C)C)c7)cc6oc45)ccc32)c1.CC(C)c1ccc(-n2c3ccccc3c3cccc(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7cccc8c9ccccc9n(-c9ccc(C(C)C)cc9)c78)cc6oc45)c32)cc1.CC(C)c1cccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7cccc8c7c7ccccc7n8-c7cccc(C(C)C)c7)cc6oc45)cccc32)c1
InChIInChI=1S/2C78H60N4O2.2C76H56N4O2/c1-77(2,3)49-19-17-25-53(43-49)81-69-29-15-13-27-59(69)67-45-55(33-41-71(67)81)79(51-21-9-7-10-22-51)57-31-35-61-63-37-39-66-65(75(63)83-73(61)47-57)40-38-64-62-36-32-58(48-74(62)84-76(64)66)80(52-23-11-8-12-24-52)56-34-42-72-68(46-56)60-28-14-16-30-70(60)82(72)54-26-18-20-50(44-54)78(4,5)6;1-77(2,3)49-25-29-53(30-26-49)81-69-23-15-13-21-59(69)61-37-33-55(45-71(61)81)79(51-17-9-7-10-18-51)57-35-39-63-65-41-43-68-67(75(65)83-73(63)47-57)44-42-66-64-40-36-58(48-74(64)84-76(66)68)80(52-19-11-8-12-20-52)56-34-38-62-60-22-14-16-24-70(60)82(72(62)46-56)54-31-27-50(28-32-54)78(4,5)6;1-47(2)49-19-15-25-53(43-49)79-65-29-13-11-27-63(65)73-67(31-17-33-69(73)79)77(51-21-7-5-8-22-51)55-35-37-57-59-39-41-62-61(75(59)81-71(57)45-55)42-40-60-58-38-36-56(46-72(58)82-76(60)62)78(52-23-9-6-10-24-52)68-32-18-34-70-74(68)64-28-12-14-30-66(64)80(70)54-26-16-20-50(44-54)48(3)4;1-47(2)49-29-33-53(34-30-49)79-67-25-13-11-21-57(67)61-23-15-27-69(73(61)79)77(51-17-7-5-8-18-51)55-37-39-59-63-41-43-66-65(75(63)81-71(59)45-55)44-42-64-60-40-38-56(46-72(60)82-76(64)66)78(52-19-9-6-10-20-52)70-28-16-24-62-58-22-12-14-26-68(58)80(74(62)70)54-35-31-50(32-36-54)48(3)4/h2*7-48H,1-6H3;2*5-48H,1-4H3
InChIKeyMLOUWEIJKGWZDG-UHFFFAOYSA-N
MW4285.35 g/mol
LogP88.77
Rot. Bonds36

About 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine

6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine (PubChem CID 159601904) has the molecular formula C308H232N16O8 and a molecular weight of 4285.35 g/mol. Its IUPAC name is 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine.

Molecular Properties

Compound Name6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
PubChem CID159601904
Molecular FormulaC308H232N16O8
Molecular Weight4285.35 g/mol
Exact Mass4281.82
IUPAC Name6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7ccc8c9ccccc9n(-c9ccc(C(C)(C)C)cc9)c8c7)cc6oc45)cc32)cc1.CC(C)(C)c1cccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7cccc(C(C)(C)C)c7)cc6oc45)ccc32)c1.CC(C)c1ccc(-n2c3ccccc3c3cccc(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7cccc8c9ccccc9n(-c9ccc(C(C)C)cc9)c78)cc6oc45)c32)cc1.CC(C)c1cccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7cccc8c7c7ccccc7n8-c7cccc(C(C)C)c7)cc6oc45)cccc32)c1
InChIInChI=1S/2C78H60N4O2.2C76H56N4O2/c1-77(2,3)49-19-17-25-53(43-49)81-69-29-15-13-27-59(69)67-45-55(33-41-71(67)81)79(51-21-9-7-10-22-51)57-31-35-61-63-37-39-66-65(75(63)83-73(61)47-57)40-38-64-62-36-32-58(48-74(62)84-76(64)66)80(52-23-11-8-12-24-52)56-34-42-72-68(46-56)60-28-14-16-30-70(60)82(72)54-26-18-20-50(44-54)78(4,5)6;1-77(2,3)49-25-29-53(30-26-49)81-69-23-15-13-21-59(69)61-37-33-55(45-71(61)81)79(51-17-9-7-10-18-51)57-35-39-63-65-41-43-68-67(75(65)83-73(63)47-57)44-42-66-64-40-36-58(48-74(64)84-76(66)68)80(52-19-11-8-12-20-52)56-34-38-62-60-22-14-16-24-70(60)82(72(62)46-56)54-31-27-50(28-32-54)78(4,5)6;1-47(2)49-19-15-25-53(43-49)79-65-29-13-11-27-63(65)73-67(31-17-33-69(73)79)77(51-21-7-5-8-22-51)55-35-37-57-59-39-41-62-61(75(59)81-71(57)45-55)42-40-60-58-38-36-56(46-72(58)82-76(60)62)78(52-23-9-6-10-24-52)68-32-18-34-70-74(68)64-28-12-14-30-66(64)80(70)54-26-16-20-50(44-54)48(3)4;1-47(2)49-29-33-53(34-30-49)79-67-25-13-11-21-57(67)61-23-15-27-69(73(61)79)77(51-17-7-5-8-18-51)55-37-39-59-63-41-43-66-65(75(63)81-71(59)45-55)44-42-64-60-40-38-56(46-72(60)82-76(64)66)78(52-19-9-6-10-20-52)70-28-16-24-62-58-22-12-14-26-68(58)80(74(62)70)54-35-31-50(32-36-54)48(3)4/h2*7-48H,1-6H3;2*5-48H,1-4H3
InChIKeyMLOUWEIJKGWZDG-UHFFFAOYSA-N
XLogP88.77
TPSA170.48 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004285.35
LogP ≤ 588.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine with MolForge

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Related Compounds

7-N,17-N-bis(9-phenylcarbazol-4-yl)-7-N,17-N-bis(4-propan-2-ylphenyl)-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-7,17-diamine
CID 163796667
9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359528
9-(4-tert-butylphenyl)-N-[4-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N-(4-propan-2-ylphenyl)carbazol-3-amine;N-[3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine;N-[4-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 160823280
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 156529786
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
9-(3-tert-butylphenyl)-3-[9-(3-tert-butylphenyl)carbazol-3-yl]carbazole;9-(4-tert-butylphenyl)-3-[9-(4-tert-butylphenyl)carbazol-3-yl]carbazole;N,N-diphenyl-3-[3-[9-[3-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline
CID 161395896
1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine
CID 162473597
4-N,9-N-bis(4-bromophenyl)-4-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7-phenylbenzo[g]carbazole-4,9-diamine
CID 129037843
N,N,9-tris(4-phenylphenyl)carbazol-2-amine;N,N,9-tris(4-phenylphenyl)carbazol-3-amine;N,N,9-tris(4-phenylphenyl)carbazol-4-amine
CID 159285167
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-dibenzofuran-2-yl-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-dibenzofuran-3-yl-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 158758153
4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline
CID 88541137
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The IUPAC name of 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine (CID 159601904) is 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine.
What is the SMILES notation for 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The canonical SMILES for 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine is CC(C)(C)c1ccc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7ccc8c9ccccc9n(-c9ccc(C(C)(C)C)cc9)c8c7)cc6oc45)cc32)cc1.CC(C)(C)c1cccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7cccc(C(C)(C)C)c7)cc6oc45)ccc32)c1.CC(C)c1ccc(-n2c3ccccc3c3cccc(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7cccc8c9ccccc9n(-c9ccc(C(C)C)cc9)c78)cc6oc45)c32)cc1.CC(C)c1cccc(-n2c3ccccc3c3c(N(c4ccccc4)c4ccc5c(c4)oc4c5ccc5c4ccc4c6ccc(N(c7ccccc7)c7cccc8c7c7ccccc7n8-c7cccc(C(C)C)c7)cc6oc45)cccc32)c1.
What is the InChIKey of 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
The InChIKey is MLOUWEIJKGWZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C78H60N4O2.2C76H56N4O2/c1-77(2,3)49-19-17-25-53(43-49)81-69-29-15-13-27-59(69)67-45-55(33-41-71(67)81)79(51-21-9-7-10-22-51)57-31-35-61-63-37-39-66-65(75(63)83-73(61)47-57)40-38-64-62-36-32-58(48-74(62)84-76(64)66)80(52-23-11-8-12-24-52)56-34-42-72-68(46-56)60-28-14-16-30-70(60)82(72)54-26-18-20-50(44-54)78(4,5)6;1-77(2,3)49-25-29-53(30-26-49)81-69-23-15-13-21-59(69)61-37-33-55(45-71(61)81)79(51-17-9-7-10-18-51)57-35-39-63-65-41-43-68-67(75(65)83-73(63)47-57)44-42-66-64-40-36-58(48-74(64)84-76(66)68)80(52-19-11-8-12-20-52)56-34-38-62-60-22-14-16-24-70(60)82(72(62)46-56)54-31-27-50(28-32-54)78(4,5)6;1-47(2)49-19-15-25-53(43-49)79-65-29-13-11-27-63(65)73-67(31-17-33-69(73)79)77(51-21-7-5-8-22-51)55-35-37-57-59-39-41-62-61(75(59)81-71(57)45-55)42-40-60-58-38-36-56(46-72(58)82-76(60)62)78(52-23-9-6-10-24-52)68-32-18-34-70-74(68)64-28-12-14-30-66(64)80(70)54-26-16-20-50(44-54)48(3)4;1-47(2)49-29-33-53(34-30-49)79-67-25-13-11-21-57(67)61-23-15-27-69(73(61)79)77(51-17-7-5-8-18-51)55-37-39-59-63-41-43-66-65(75(63)81-71(59)45-55)44-42-64-60-40-38-56(46-72(60)82-76(64)66)78(52-19-9-6-10-20-52)70-28-16-24-62-58-22-12-14-26-68(58)80(74(62)70)54-35-31-50(32-36-54)48(3)4/h2*7-48H,1-6H3;2*5-48H,1-4H3.
What are the key properties of 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine?
6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine has a molecular weight of 4285.35 g/mol, XLogP of 88.77, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-bis[9-(3-tert-butylphenyl)carbazol-3-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-bis[9-(4-tert-butylphenyl)carbazol-2-yl]-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(3-propan-2-ylphenyl)carbazol-4-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis[9-(4-propan-2-ylphenyl)carbazol-1-yl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine is sourced from PubChem (CID 159601904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).