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

C300H250N6S — CID 161180933

IUPAC6-(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
SMILESCC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3ccc(-c4cc(-c5ccccc5)c5ccc6ccc(-c7ccccc7)c7ccc4c5c67)cc3)cc12.CSC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cc(-c4ccccc4)c4ccc5ccc(-c6ccccc6)c6ccc3c4c56)cc12.Cc1c(-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)cc2c(c1C)N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)c(C)c2c1N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)cc2c1N(c1ccccc1)C1(C)CCCCC21C.Cc1cc2c(cc1-c1cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc1c3c45)C1(C)CCCCC1(C)N2c1ccccc1
InChIInChI=1S/C54H43N.2C50H43N.2C49H41N.C48H39NS/c1-53-32-12-13-33-54(53,2)55(42-18-10-5-11-19-42)50-31-26-41(34-49(50)53)36-20-22-39(23-21-36)48-35-47(38-16-8-4-9-17-38)45-28-25-40-24-27-43(37-14-6-3-7-15-37)44-29-30-46(48)52(45)51(40)44;1-32-33(2)48-45(49(3)28-14-15-29-50(49,4)51(48)37-20-12-7-13-21-37)31-42(32)44-30-43(35-18-10-6-11-19-35)40-25-23-36-22-24-38(34-16-8-5-9-17-34)39-26-27-41(44)47(40)46(36)39;1-32-30-42(33(2)47-48(32)51(37-20-12-7-13-21-37)50(4)29-15-14-28-49(47,50)3)44-31-43(35-18-10-6-11-19-35)40-25-23-36-22-24-38(34-16-8-5-9-17-34)39-26-27-41(44)46(40)45(36)39;1-32-29-36(30-44-47(32)50(37-19-11-6-12-20-37)49(3)28-14-13-27-48(44,49)2)43-31-42(34-17-9-5-10-18-34)40-24-22-35-21-23-38(33-15-7-4-8-16-33)39-25-26-41(43)46(40)45(35)39;1-32-29-45-44(48(2)27-13-14-28-49(48,3)50(45)36-19-11-6-12-20-36)31-41(32)43-30-42(34-17-9-5-10-18-34)39-24-22-35-21-23-37(33-15-7-4-8-16-33)38-25-26-40(43)47(39)46(35)38;1-47-28-12-13-29-48(47,50-2)43-30-35(22-27-44(43)49(47)36-18-10-5-11-19-36)42-31-41(33-16-8-4-9-17-33)39-24-21-34-20-23-37(32-14-6-3-7-15-32)38-25-26-40(42)46(39)45(34)38/h3-11,14-31,34-35H,12-13,32-33H2,1-2H3;2*5-13,16-27,30-31H,14-15,28-29H2,1-4H3;2*4-12,15-26,29-31H,13-14,27-28H2,1-3H3;3-11,14-27,30-31H,12-13,28-29H2,1-2H3
InChIKeyUSLDMZRMNVEMQF-UHFFFAOYSA-N
MW3971.41 g/mol
LogP83.78
Rot. Bonds26

About 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

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 (PubChem CID 161180933) has the molecular formula C300H250N6S and a molecular weight of 3971.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID161180933
Molecular FormulaC300H250N6S
Molecular Weight3971.41 g/mol
Exact Mass3967.95
IUPAC Name6-(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
SMILESCC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3ccc(-c4cc(-c5ccccc5)c5ccc6ccc(-c7ccccc7)c7ccc4c5c67)cc3)cc12.CSC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cc(-c4ccccc4)c4ccc5ccc(-c6ccccc6)c6ccc3c4c56)cc12.Cc1c(-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)cc2c(c1C)N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)c(C)c2c1N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)cc2c1N(c1ccccc1)C1(C)CCCCC21C.Cc1cc2c(cc1-c1cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc1c3c45)C1(C)CCCCC1(C)N2c1ccccc1
InChIInChI=1S/C54H43N.2C50H43N.2C49H41N.C48H39NS/c1-53-32-12-13-33-54(53,2)55(42-18-10-5-11-19-42)50-31-26-41(34-49(50)53)36-20-22-39(23-21-36)48-35-47(38-16-8-4-9-17-38)45-28-25-40-24-27-43(37-14-6-3-7-15-37)44-29-30-46(48)52(45)51(40)44;1-32-33(2)48-45(49(3)28-14-15-29-50(49,4)51(48)37-20-12-7-13-21-37)31-42(32)44-30-43(35-18-10-6-11-19-35)40-25-23-36-22-24-38(34-16-8-5-9-17-34)39-26-27-41(44)47(40)46(36)39;1-32-30-42(33(2)47-48(32)51(37-20-12-7-13-21-37)50(4)29-15-14-28-49(47,50)3)44-31-43(35-18-10-6-11-19-35)40-25-23-36-22-24-38(34-16-8-5-9-17-34)39-26-27-41(44)46(40)45(36)39;1-32-29-36(30-44-47(32)50(37-19-11-6-12-20-37)49(3)28-14-13-27-48(44,49)2)43-31-42(34-17-9-5-10-18-34)40-24-22-35-21-23-38(33-15-7-4-8-16-33)39-25-26-41(43)46(40)45(35)39;1-32-29-45-44(48(2)27-13-14-28-49(48,3)50(45)36-19-11-6-12-20-36)31-41(32)43-30-42(34-17-9-5-10-18-34)39-24-22-35-21-23-37(33-15-7-4-8-16-33)38-25-26-40(43)47(39)46(35)38;1-47-28-12-13-29-48(47,50-2)43-30-35(22-27-44(43)49(47)36-18-10-5-11-19-36)42-31-41(33-16-8-4-9-17-33)39-24-21-34-20-23-37(32-14-6-3-7-15-32)38-25-26-40(42)46(39)45(34)38/h3-11,14-31,34-35H,12-13,32-33H2,1-2H3;2*5-13,16-27,30-31H,14-15,28-29H2,1-4H3;2*4-12,15-26,29-31H,13-14,27-28H2,1-3H3;3-11,14-27,30-31H,12-13,28-29H2,1-2H3
InChIKeyUSLDMZRMNVEMQF-UHFFFAOYSA-N
XLogP83.78
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms307
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003971.41
LogP ≤ 583.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
6-[7-(8a-methyl-4b-methylsulfanyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)pyren-2-yl]-9a-methyl-4a-methylsulfanyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[7-(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)pyren-2-yl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[7-(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)pyren-2-yl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[7-(2,4b,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)pyren-2-yl]-4a,7,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[7-(4b-methoxy-8a-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)pyren-2-yl]-4a-methoxy-9a-methyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 158350111
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
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
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
3-(4a,9a-dimethyl-6-phenyl-1,2,3,4-tetrahydrocarbazol-9-yl)-N,N-bis(4-tert-butylphenyl)-5-methylaniline
CID 166015021
1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
CID 156656915
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858
1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene
CID 158441814
9-[11-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-17-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;6-[9-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-12,12-dimethyl-15-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-23-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;6-[11-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-2-yl)-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 157370632
9-[3-[9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl]phenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9,19-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;9,19-bis(9,9-dimethylfluoren-3-yl)-12,12-dimethyl-16-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 160608124

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3ccc(-c4cc(-c5ccccc5)c5ccc6ccc(-c7ccccc7)c7ccc4c5c67)cc3)cc12.CSC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cc(-c4ccccc4)c4ccc5ccc(-c6ccccc6)c6ccc3c4c56)cc12.Cc1c(-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)cc2c(c1C)N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)c(C)c2c1N(c1ccccc1)C1(C)CCCCC21C.Cc1cc(-c2cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc2c3c45)cc2c1N(c1ccccc1)C1(C)CCCCC21C.Cc1cc2c(cc1-c1cc(-c3ccccc3)c3ccc4ccc(-c5ccccc5)c5ccc1c3c45)C1(C)CCCCC1(C)N2c1ccccc1.
What is the InChIKey of 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?
The InChIKey is USLDMZRMNVEMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N.2C50H43N.2C49H41N.C48H39NS/c1-53-32-12-13-33-54(53,2)55(42-18-10-5-11-19-42)50-31-26-41(34-49(50)53)36-20-22-39(23-21-36)48-35-47(38-16-8-4-9-17-38)45-28-25-40-24-27-43(37-14-6-3-7-15-37)44-29-30-46(48)52(45)51(40)44;1-32-33(2)48-45(49(3)28-14-15-29-50(49,4)51(48)37-20-12-7-13-21-37)31-42(32)44-30-43(35-18-10-6-11-19-35)40-25-23-36-22-24-38(34-16-8-5-9-17-34)39-26-27-41(44)47(40)46(36)39;1-32-30-42(33(2)47-48(32)51(37-20-12-7-13-21-37)50(4)29-15-14-28-49(47,50)3)44-31-43(35-18-10-6-11-19-35)40-25-23-36-22-24-38(34-16-8-5-9-17-34)39-26-27-41(44)46(40)45(36)39;1-32-29-36(30-44-47(32)50(37-19-11-6-12-20-37)49(3)28-14-13-27-48(44,49)2)43-31-42(34-17-9-5-10-18-34)40-24-22-35-21-23-38(33-15-7-4-8-16-33)39-25-26-41(43)46(40)45(35)39;1-32-29-45-44(48(2)27-13-14-28-49(48,3)50(45)36-19-11-6-12-20-36)31-41(32)43-30-42(34-17-9-5-10-18-34)39-24-22-35-21-23-37(33-15-7-4-8-16-33)38-25-26-40(43)47(39)46(35)38;1-47-28-12-13-29-48(47,50-2)43-30-35(22-27-44(43)49(47)36-18-10-5-11-19-36)42-31-41(33-16-8-4-9-17-33)39-24-21-34-20-23-37(32-14-6-3-7-15-32)38-25-26-40(42)46(39)45(34)38/h3-11,14-31,34-35H,12-13,32-33H2,1-2H3;2*5-13,16-27,30-31H,14-15,28-29H2,1-4H3;2*4-12,15-26,29-31H,13-14,27-28H2,1-3H3;3-11,14-27,30-31H,12-13,28-29H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3971.41 g/mol, XLogP of 83.78, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161180933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).