6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole

C389H364N12 — CID 158318887

IUPAC6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
SMILESCC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cccc4c(-c5cc(-c6cccc7ccccc67)c6ccc7c(-c8cccc9c(-c%10ccc%11c(c%10)C%10(C)CCCCC%10(C)N%11c%10ccccc%10)cccc89)cc(-c8cccc9c(-c%10ccc%11c(c%10)C%10(C)CCCCC%10(C)N%11c%10ccccc%10)cccc89)c8ccc5c6c78)cccc34)cc12.Cc1c(-c2cc(-c3cc4c(c(C)c3C)N(c3ccccc3)C3(C)CCCCC43C)c3ccc4c(-c5cccc6ccccc56)cc(-c5cc6c(c(C)c5C)N(c5ccccc5)C5(C)CCCCC65C)c5ccc2c3c54)cc2c(c1C)N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3cc(C)c4c(c3)C3(C)CCCCC3(C)N4c3ccccc3)c3ccc4c(-c5cccc6ccccc56)cc(-c5cc(C)c6c(c5)C5(C)CCCCC5(C)N6c5ccccc5)c5ccc2c3c54)cc2c1N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3cc(C)c4c(c3C)C3(C)CCCCC3(C)N4c3ccccc3)c3ccc4c(-c5cccc6ccccc56)cc(-c5cc(C)c6c(c5C)C5(C)CCCCC5(C)N6c5ccccc5)c5ccc2c3c54)c(C)c2c1N(c1ccccc1)C1(C)CCCCC21C
InChIInChI=1S/C116H97N3.2C92H91N3.C89H85N3/c1-111-63-18-21-66-114(111,4)117(78-33-10-7-11-34-78)106-60-53-75(69-103(106)111)82-40-25-47-89-85(82)44-28-50-92(89)100-72-99(88-43-24-32-74-31-16-17-39-81(74)88)95-56-57-97-101(93-51-29-45-86-83(41-26-48-90(86)93)76-54-61-107-104(70-76)112(2)64-19-22-67-115(112,5)118(107)79-35-12-8-13-36-79)73-102(98-59-58-96(100)109(95)110(97)98)94-52-30-46-87-84(42-27-49-91(87)94)77-55-62-108-105(71-77)113(3)65-20-23-68-116(113,6)119(108)80-37-14-9-15-38-80;1-56-59(4)84-79(87(7)45-24-27-48-90(87,10)93(84)63-33-16-13-17-34-63)53-72(56)76-51-75(67-40-30-32-62-31-22-23-39-66(62)67)68-41-42-70-77(73-54-80-85(60(5)57(73)2)94(64-35-18-14-19-36-64)91(11)49-28-25-46-88(80,91)8)52-78(71-44-43-69(76)82(68)83(70)71)74-55-81-86(61(6)58(74)3)95(65-37-20-15-21-38-65)92(12)50-29-26-47-89(81,92)9;1-56-51-72(59(4)81-84(56)93(63-33-16-13-17-34-63)90(10)48-27-24-45-87(81,90)7)76-54-75(67-40-30-32-62-31-22-23-39-66(62)67)68-41-42-70-77(73-52-57(2)85-82(60(73)5)88(8)46-25-28-49-91(88,11)94(85)64-35-18-14-19-36-64)55-78(71-44-43-69(76)79(68)80(70)71)74-53-58(3)86-83(61(74)6)89(9)47-26-29-50-92(89,12)95(86)65-37-20-15-21-38-65;1-56-48-60(51-76-81(56)90(63-30-13-10-14-31-63)87(7)45-24-21-42-84(76,87)4)72-54-73(61-49-57(2)82-77(52-61)85(5)43-22-25-46-88(85,8)91(82)64-32-15-11-16-33-64)69-40-41-71-75(67-37-27-29-59-28-19-20-36-66(59)67)55-74(70-39-38-68(72)79(69)80(70)71)62-50-58(3)83-78(53-62)86(6)44-23-26-47-89(86,9)92(83)65-34-17-12-18-35-65/h7-17,24-62,69-73H,18-23,63-68H2,1-6H3;2*13-23,30-44,51-55H,24-29,45-50H2,1-12H3;10-20,27-41,48-55H,21-26,42-47H2,1-9H3
InChIKeyGOPGJBUTHLARAD-UHFFFAOYSA-N
MW5207.28 g/mol
LogP107.61
Rot. Bonds31

About 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole

6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 158318887) has the molecular formula C389H364N12 and a molecular weight of 5207.28 g/mol. Its IUPAC name is 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
PubChem CID158318887
Molecular FormulaC389H364N12
Molecular Weight5207.28 g/mol
Exact Mass5202.89
IUPAC Name6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
SMILESCC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cccc4c(-c5cc(-c6cccc7ccccc67)c6ccc7c(-c8cccc9c(-c%10ccc%11c(c%10)C%10(C)CCCCC%10(C)N%11c%10ccccc%10)cccc89)cc(-c8cccc9c(-c%10ccc%11c(c%10)C%10(C)CCCCC%10(C)N%11c%10ccccc%10)cccc89)c8ccc5c6c78)cccc34)cc12.Cc1c(-c2cc(-c3cc4c(c(C)c3C)N(c3ccccc3)C3(C)CCCCC43C)c3ccc4c(-c5cccc6ccccc56)cc(-c5cc6c(c(C)c5C)N(c5ccccc5)C5(C)CCCCC65C)c5ccc2c3c54)cc2c(c1C)N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3cc(C)c4c(c3)C3(C)CCCCC3(C)N4c3ccccc3)c3ccc4c(-c5cccc6ccccc56)cc(-c5cc(C)c6c(c5)C5(C)CCCCC5(C)N6c5ccccc5)c5ccc2c3c54)cc2c1N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3cc(C)c4c(c3C)C3(C)CCCCC3(C)N4c3ccccc3)c3ccc4c(-c5cccc6ccccc56)cc(-c5cc(C)c6c(c5C)C5(C)CCCCC5(C)N6c5ccccc5)c5ccc2c3c54)c(C)c2c1N(c1ccccc1)C1(C)CCCCC21C
InChIInChI=1S/C116H97N3.2C92H91N3.C89H85N3/c1-111-63-18-21-66-114(111,4)117(78-33-10-7-11-34-78)106-60-53-75(69-103(106)111)82-40-25-47-89-85(82)44-28-50-92(89)100-72-99(88-43-24-32-74-31-16-17-39-81(74)88)95-56-57-97-101(93-51-29-45-86-83(41-26-48-90(86)93)76-54-61-107-104(70-76)112(2)64-19-22-67-115(112,5)118(107)79-35-12-8-13-36-79)73-102(98-59-58-96(100)109(95)110(97)98)94-52-30-46-87-84(42-27-49-91(87)94)77-55-62-108-105(71-77)113(3)65-20-23-68-116(113,6)119(108)80-37-14-9-15-38-80;1-56-59(4)84-79(87(7)45-24-27-48-90(87,10)93(84)63-33-16-13-17-34-63)53-72(56)76-51-75(67-40-30-32-62-31-22-23-39-66(62)67)68-41-42-70-77(73-54-80-85(60(5)57(73)2)94(64-35-18-14-19-36-64)91(11)49-28-25-46-88(80,91)8)52-78(71-44-43-69(76)82(68)83(70)71)74-55-81-86(61(6)58(74)3)95(65-37-20-15-21-38-65)92(12)50-29-26-47-89(81,92)9;1-56-51-72(59(4)81-84(56)93(63-33-16-13-17-34-63)90(10)48-27-24-45-87(81,90)7)76-54-75(67-40-30-32-62-31-22-23-39-66(62)67)68-41-42-70-77(73-52-57(2)85-82(60(73)5)88(8)46-25-28-49-91(88,11)94(85)64-35-18-14-19-36-64)55-78(71-44-43-69(76)79(68)80(70)71)74-53-58(3)86-83(61(74)6)89(9)47-26-29-50-92(89,12)95(86)65-37-20-15-21-38-65;1-56-48-60(51-76-81(56)90(63-30-13-10-14-31-63)87(7)45-24-21-42-84(76,87)4)72-54-73(61-49-57(2)82-77(52-61)85(5)43-22-25-46-88(85,8)91(82)64-32-15-11-16-33-64)69-40-41-71-75(67-37-27-29-59-28-19-20-36-66(59)67)55-74(70-39-38-68(72)79(69)80(70)71)62-50-58(3)83-78(53-62)86(6)44-23-26-47-89(86,9)92(83)65-34-17-12-18-35-65/h7-17,24-62,69-73H,18-23,63-68H2,1-6H3;2*13-23,30-44,51-55H,24-29,45-50H2,1-12H3;10-20,27-41,48-55H,21-26,42-47H2,1-9H3
InChIKeyGOPGJBUTHLARAD-UHFFFAOYSA-N
XLogP107.61
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms401
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005207.28
LogP ≤ 5107.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole with MolForge

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Related Compounds

6-(3,8-diphenylpyren-1-yl)-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-(3,8-diphenylpyren-1-yl)-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-(3,8-diphenylpyren-1-yl)-4a,7,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-(3,8-diphenylpyren-1-yl)-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-(3,8-diphenylpyren-1-yl)-9a-methyl-4a-methylsulfanyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[4-(3,8-diphenylpyren-1-yl)phenyl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 161180933
6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline
CID 159081456
N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 159910131
6-(3,5-dibromo-4-chlorophenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 166583647
1-N,6-N-bis(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-N,6-N-bis(2,7-dimethylnaphthalen-1-yl)pyrene-1,6-diamine
CID 142355441
2,4a,9a-trimethyl-9-phenyl-6-(3,6,8-trinaphthalen-1-ylpyren-1-yl)-1,2,3,4-tetrahydrocarbazole;2,2,3a,8b-tetramethyl-4-phenyl-7-(3,6,8-trinaphthalen-1-ylpyren-1-yl)-1,3-dihydrocyclopenta[b]indole;3,3a-dimethyl-4-phenyl-7-(3,6,8-trinaphthalen-1-ylpyren-1-yl)-1,2,3,8b-tetrahydrocyclopenta[b]indole;3,3,3a-trimethyl-4-phenyl-7-(3,6,8-trinaphthalen-1-ylpyren-1-yl)-2,8b-dihydro-1H-cyclopenta[b]indole;3-tert-butyl-9a-methyl-9-phenyl-6-(3,6,8-trinaphthalen-1-ylpyren-1-yl)-2,3,4,4a-tetrahydro-1H-carbazole;3-ethyl-4a,9a-dimethyl-9-phenyl-6-(3,6,8-trinaphthalen-1-ylpyren-1-yl)-1,2,3,4-tetrahydrocarbazole
CID 159539120
5a,10a-dimethyl-5-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
CID 142355577
3-N-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-chloro-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 166583636
N-(4-tert-butylphenyl)-3,8-dimethyl-N-(3-naphthalen-1-ylphenyl)-11,21-diphenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),9(27),10,12,15(20),16,18,22(26),23-nonaen-18-amine
CID 167344709
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
1,6-bis(10-naphthalen-1-ylphenanthren-3-yl)-3,8-diphenylpyrene
CID 170778790

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole (CID 158318887) is 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole is CC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cccc4c(-c5cc(-c6cccc7ccccc67)c6ccc7c(-c8cccc9c(-c%10ccc%11c(c%10)C%10(C)CCCCC%10(C)N%11c%10ccccc%10)cccc89)cc(-c8cccc9c(-c%10ccc%11c(c%10)C%10(C)CCCCC%10(C)N%11c%10ccccc%10)cccc89)c8ccc5c6c78)cccc34)cc12.Cc1c(-c2cc(-c3cc4c(c(C)c3C)N(c3ccccc3)C3(C)CCCCC43C)c3ccc4c(-c5cccc6ccccc56)cc(-c5cc6c(c(C)c5C)N(c5ccccc5)C5(C)CCCCC65C)c5ccc2c3c54)cc2c(c1C)N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3cc(C)c4c(c3)C3(C)CCCCC3(C)N4c3ccccc3)c3ccc4c(-c5cccc6ccccc56)cc(-c5cc(C)c6c(c5)C5(C)CCCCC5(C)N6c5ccccc5)c5ccc2c3c54)cc2c1N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3cc(C)c4c(c3C)C3(C)CCCCC3(C)N4c3ccccc3)c3ccc4c(-c5cccc6ccccc56)cc(-c5cc(C)c6c(c5C)C5(C)CCCCC5(C)N6c5ccccc5)c5ccc2c3c54)c(C)c2c1N(c1ccccc1)C1(C)CCCCC21C.
What is the InChIKey of 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is GOPGJBUTHLARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H97N3.2C92H91N3.C89H85N3/c1-111-63-18-21-66-114(111,4)117(78-33-10-7-11-34-78)106-60-53-75(69-103(106)111)82-40-25-47-89-85(82)44-28-50-92(89)100-72-99(88-43-24-32-74-31-16-17-39-81(74)88)95-56-57-97-101(93-51-29-45-86-83(41-26-48-90(86)93)76-54-61-107-104(70-76)112(2)64-19-22-67-115(112,5)118(107)79-35-12-8-13-36-79)73-102(98-59-58-96(100)109(95)110(97)98)94-52-30-46-87-84(42-27-49-91(87)94)77-55-62-108-105(71-77)113(3)65-20-23-68-116(113,6)119(108)80-37-14-9-15-38-80;1-56-59(4)84-79(87(7)45-24-27-48-90(87,10)93(84)63-33-16-13-17-34-63)53-72(56)76-51-75(67-40-30-32-62-31-22-23-39-66(62)67)68-41-42-70-77(73-54-80-85(60(5)57(73)2)94(64-35-18-14-19-36-64)91(11)49-28-25-46-88(80,91)8)52-78(71-44-43-69(76)82(68)83(70)71)74-55-81-86(61(6)58(74)3)95(65-37-20-15-21-38-65)92(12)50-29-26-47-89(81,92)9;1-56-51-72(59(4)81-84(56)93(63-33-16-13-17-34-63)90(10)48-27-24-45-87(81,90)7)76-54-75(67-40-30-32-62-31-22-23-39-66(62)67)68-41-42-70-77(73-52-57(2)85-82(60(73)5)88(8)46-25-28-49-91(88,11)94(85)64-35-18-14-19-36-64)55-78(71-44-43-69(76)79(68)80(70)71)74-53-58(3)86-83(61(74)6)89(9)47-26-29-50-92(89,12)95(86)65-37-20-15-21-38-65;1-56-48-60(51-76-81(56)90(63-30-13-10-14-31-63)87(7)45-24-21-42-84(76,87)4)72-54-73(61-49-57(2)82-77(52-61)85(5)43-22-25-46-88(85,8)91(82)64-32-15-11-16-33-64)69-40-41-71-75(67-37-27-29-59-28-19-20-36-66(59)67)55-74(70-39-38-68(72)79(69)80(70)71)62-50-58(3)83-78(53-62)86(6)44-23-26-47-89(86,9)92(83)65-34-17-12-18-35-65/h7-17,24-62,69-73H,18-23,63-68H2,1-6H3;2*13-23,30-44,51-55H,24-29,45-50H2,1-12H3;10-20,27-41,48-55H,21-26,42-47H2,1-9H3.
What are the key properties of 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?
6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 5207.28 g/mol, XLogP of 107.61, 31 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3,6-bis[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)naphthalen-1-yl]-8-naphthalen-1-ylpyren-1-yl]naphthalen-1-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,2,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,7,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4,4b,8a-tetramethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,5,8,9a-tetramethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis(1,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-naphthalen-1-ylpyren-1-yl]-4a,8,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 158318887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).