8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline

C350H214N24 — CID 158117862

IUPAC8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3nc(-c4ccc(-c5ccc(-c6cc(-c7ccc(-c8cccc9cccnc89)cc7)nc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)n6)cc5)cc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)c3ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6cc(-c7ccc(-c8cccc9cccnc89)cc7)nc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)n6)cc5)cc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)cc21.c1cnc2c(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9cccc%10cccnc9%10)cc8)nc(-c8cc9ccccc9c9ccccc89)n7)cc6)cc5)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)cccc2c1.c1cnc2c(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9cccc%10cccnc9%10)cc8)nc(-c8ccc9ccc%10cccc%11ccc8c9c%10%11)n7)cc6)cc5)nc(-c5ccc6ccc7cccc8c7c6c5CC8)n4)cc3)cccc2c1
InChIInChI=1S/C100H60N6.C90H56N6.C82H50N6.C78H48N6/c1-7-29-83-75(21-1)76-22-2-8-30-84(76)99(83)87-33-11-5-25-79(87)81-53-51-71(57-89(81)99)97-103-91(59-93(105-97)67-47-39-63(40-48-67)73-27-13-17-69-19-15-55-101-95(69)73)65-43-35-61(36-44-65)62-37-45-66(46-38-62)92-60-94(68-49-41-64(42-50-68)74-28-14-18-70-20-16-56-102-96(70)74)106-98(104-92)72-52-54-82-80-26-6-12-34-88(80)100(90(82)58-72)85-31-9-3-23-77(85)78-24-4-10-32-86(78)100;1-3-19-65(20-4-1)83-71-27-7-11-31-75(71)85(76-32-12-8-28-72(76)83)89-93-79(55-81(95-89)63-49-41-59(42-50-63)69-35-15-23-67-25-17-53-91-87(67)69)61-45-37-57(38-46-61)58-39-47-62(48-40-58)80-56-82(64-51-43-60(44-52-64)70-36-16-24-68-26-18-54-92-88(68)70)96-90(94-80)86-77-33-13-9-29-73(77)84(66-21-5-2-6-22-66)74-30-10-14-34-78(74)86;1-7-57-33-35-61-39-43-69(67-41-37-59(9-1)75(57)77(61)67)81-85-71(47-73(87-81)55-29-21-51(22-30-55)65-15-3-11-63-13-5-45-83-79(63)65)53-25-17-49(18-26-53)50-19-27-54(28-20-50)72-48-74(56-31-23-52(24-32-56)66-16-4-12-64-14-6-46-84-80(64)66)88-82(86-72)70-44-40-62-36-34-58-8-2-10-60-38-42-68(70)78(62)76(58)60;1-3-19-61-59(13-1)45-69(67-23-7-5-21-65(61)67)77-81-71(47-73(83-77)55-39-31-51(32-40-55)63-25-9-15-57-17-11-43-79-75(57)63)53-35-27-49(28-36-53)50-29-37-54(38-30-50)72-48-74(56-41-33-52(34-42-56)64-26-10-16-58-18-12-44-80-76(58)64)84-78(82-72)70-46-60-14-2-4-20-62(60)66-22-6-8-24-68(66)70/h1-60H;1-56H;1-37,39-41,43-48H,38,42H2;1-48H
InChIKeyFRFXBHJZHUZDEX-UHFFFAOYSA-N
MW4755.73 g/mol
LogP88.01
Rot. Bonds38

About 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline

8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline (PubChem CID 158117862) has the molecular formula C350H214N24 and a molecular weight of 4755.73 g/mol. Its IUPAC name is 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline
PubChem CID158117862
Molecular FormulaC350H214N24
Molecular Weight4755.73 g/mol
Exact Mass4751.75
IUPAC Name8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3nc(-c4ccc(-c5ccc(-c6cc(-c7ccc(-c8cccc9cccnc89)cc7)nc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)n6)cc5)cc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)c3ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6cc(-c7ccc(-c8cccc9cccnc89)cc7)nc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)n6)cc5)cc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)cc21.c1cnc2c(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9cccc%10cccnc9%10)cc8)nc(-c8cc9ccccc9c9ccccc89)n7)cc6)cc5)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)cccc2c1.c1cnc2c(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9cccc%10cccnc9%10)cc8)nc(-c8ccc9ccc%10cccc%11ccc8c9c%10%11)n7)cc6)cc5)nc(-c5ccc6ccc7cccc8c7c6c5CC8)n4)cc3)cccc2c1
InChIInChI=1S/C100H60N6.C90H56N6.C82H50N6.C78H48N6/c1-7-29-83-75(21-1)76-22-2-8-30-84(76)99(83)87-33-11-5-25-79(87)81-53-51-71(57-89(81)99)97-103-91(59-93(105-97)67-47-39-63(40-48-67)73-27-13-17-69-19-15-55-101-95(69)73)65-43-35-61(36-44-65)62-37-45-66(46-38-62)92-60-94(68-49-41-64(42-50-68)74-28-14-18-70-20-16-56-102-96(70)74)106-98(104-92)72-52-54-82-80-26-6-12-34-88(80)100(90(82)58-72)85-31-9-3-23-77(85)78-24-4-10-32-86(78)100;1-3-19-65(20-4-1)83-71-27-7-11-31-75(71)85(76-32-12-8-28-72(76)83)89-93-79(55-81(95-89)63-49-41-59(42-50-63)69-35-15-23-67-25-17-53-91-87(67)69)61-45-37-57(38-46-61)58-39-47-62(48-40-58)80-56-82(64-51-43-60(44-52-64)70-36-16-24-68-26-18-54-92-88(68)70)96-90(94-80)86-77-33-13-9-29-73(77)84(66-21-5-2-6-22-66)74-30-10-14-34-78(74)86;1-7-57-33-35-61-39-43-69(67-41-37-59(9-1)75(57)77(61)67)81-85-71(47-73(87-81)55-29-21-51(22-30-55)65-15-3-11-63-13-5-45-83-79(63)65)53-25-17-49(18-26-53)50-19-27-54(28-20-50)72-48-74(56-31-23-52(24-32-56)66-16-4-12-64-14-6-46-84-80(64)66)88-82(86-72)70-44-40-62-36-34-58-8-2-10-60-38-42-68(70)78(62)76(58)60;1-3-19-61-59(13-1)45-69(67-23-7-5-21-65(61)67)77-81-71(47-73(83-77)55-39-31-51(32-40-55)63-25-9-15-57-17-11-43-79-75(57)63)53-35-27-49(28-36-53)50-29-37-54(38-30-50)72-48-74(56-41-33-52(34-42-56)64-26-10-16-58-18-12-44-80-76(58)64)84-78(82-72)70-46-60-14-2-4-20-62(60)66-22-6-8-24-68(66)70/h1-60H;1-56H;1-37,39-41,43-48H,38,42H2;1-48H
InChIKeyFRFXBHJZHUZDEX-UHFFFAOYSA-N
XLogP88.01
TPSA309.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms374
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004755.73
LogP ≤ 588.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline with MolForge

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Related Compounds

8-[4-[6-phenanthren-9-yl-2-[4-[4-[4-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-(10-phenylanthracen-9-yl)-2-[4-[4-[4-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-pyren-1-yl-2-[4-[4-[4-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-[4-[4-[4-(4-quinolin-8-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline
CID 157455843
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
CID 146547263
2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-phenanthren-9-yl-1,3,5-triazine;8-[4-(9,9-dimethylfluoren-2-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]quinoline
CID 158661198
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648983
2,4-diphenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl-1,3,5-triazine
CID 160696257
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648566
4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261218
8-[4-[4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648989
2,9-dinaphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-(2,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;1-(10-naphthalen-1-ylanthracen-9-yl)pyrene;2-(10-naphthalen-1-ylanthracen-9-yl)-9,9'-spirobi[fluorene];9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-10-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene;9-phenyl-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracene
CID 163580125

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline (CID 158117862) is 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline is c1ccc(-c2c3ccccc3c(-c3nc(-c4ccc(-c5ccc(-c6cc(-c7ccc(-c8cccc9cccnc89)cc7)nc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)n6)cc5)cc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)c3ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6cc(-c7ccc(-c8cccc9cccnc89)cc7)nc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)n6)cc5)cc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)cc21.c1cnc2c(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9cccc%10cccnc9%10)cc8)nc(-c8cc9ccccc9c9ccccc89)n7)cc6)cc5)nc(-c5cc6ccccc6c6ccccc56)n4)cc3)cccc2c1.c1cnc2c(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9cccc%10cccnc9%10)cc8)nc(-c8ccc9ccc%10cccc%11ccc8c9c%10%11)n7)cc6)cc5)nc(-c5ccc6ccc7cccc8c7c6c5CC8)n4)cc3)cccc2c1.
What is the InChIKey of 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline?
The InChIKey is FRFXBHJZHUZDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H60N6.C90H56N6.C82H50N6.C78H48N6/c1-7-29-83-75(21-1)76-22-2-8-30-84(76)99(83)87-33-11-5-25-79(87)81-53-51-71(57-89(81)99)97-103-91(59-93(105-97)67-47-39-63(40-48-67)73-27-13-17-69-19-15-55-101-95(69)73)65-43-35-61(36-44-65)62-37-45-66(46-38-62)92-60-94(68-49-41-64(42-50-68)74-28-14-18-70-20-16-56-102-96(70)74)106-98(104-92)72-52-54-82-80-26-6-12-34-88(80)100(90(82)58-72)85-31-9-3-23-77(85)78-24-4-10-32-86(78)100;1-3-19-65(20-4-1)83-71-27-7-11-31-75(71)85(76-32-12-8-28-72(76)83)89-93-79(55-81(95-89)63-49-41-59(42-50-63)69-35-15-23-67-25-17-53-91-87(67)69)61-45-37-57(38-46-61)58-39-47-62(48-40-58)80-56-82(64-51-43-60(44-52-64)70-36-16-24-68-26-18-54-92-88(68)70)96-90(94-80)86-77-33-13-9-29-73(77)84(66-21-5-2-6-22-66)74-30-10-14-34-78(74)86;1-7-57-33-35-61-39-43-69(67-41-37-59(9-1)75(57)77(61)67)81-85-71(47-73(87-81)55-29-21-51(22-30-55)65-15-3-11-63-13-5-45-83-79(63)65)53-25-17-49(18-26-53)50-19-27-54(28-20-50)72-48-74(56-31-23-52(24-32-56)66-16-4-12-64-14-6-46-84-80(64)66)88-82(86-72)70-44-40-62-36-34-58-8-2-10-60-38-42-68(70)78(62)76(58)60;1-3-19-61-59(13-1)45-69(67-23-7-5-21-65(61)67)77-81-71(47-73(83-77)55-39-31-51(32-40-55)63-25-9-15-57-17-11-43-79-75(57)63)53-35-27-49(28-36-53)50-29-37-54(38-30-50)72-48-74(56-41-33-52(34-42-56)64-26-10-16-58-18-12-44-80-76(58)64)84-78(82-72)70-46-60-14-2-4-20-62(60)66-22-6-8-24-68(66)70/h1-60H;1-56H;1-37,39-41,43-48H,38,42H2;1-48H.
What are the key properties of 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline?
8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline has a molecular weight of 4755.73 g/mol, XLogP of 88.01, 38 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(9,10-dihydropyren-1-yl)-6-[4-[4-[2-pyren-1-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[2-(10-phenylanthracen-9-yl)-6-[4-[4-[2-(10-phenylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline;8-[4-[6-[4-[4-[6-(4-quinolin-8-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]quinoline is sourced from PubChem (CID 158117862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).