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

C294H288N10O2S2 — CID 158350111

IUPAC6-[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
SMILESCC1(C)CC(C)(C)C2(C)c3cc(-c4cc5ccc6cc(-c7ccc8c(c7)C7(C)C(C)(C)CC(C)(C)CC7(C)N8c7ccccc7)cc7ccc(c4)c5c67)ccc3N(c3ccccc3)C2(C)C1.CC1(C)CCCC2(C)c3cc(-c4cc5ccc6cc(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)cc7ccc(c4)c5c67)ccc3N(c3ccccc3)C12C.COC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C6(OC)CCCCC6(C)N7c6ccccc6)cc6ccc(c3)c4c56)cc12.CSC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C6(SC)CCCCC6(C)N7c6ccccc6)cc6ccc(c3)c4c56)cc12.Cc1cc2c(cc1-c1cc3ccc4cc(-c5cc6c(cc5C)N(c5ccccc5)C5(C)CCCCC65C)cc5ccc(c1)c3c45)C1(C)CCCCC1(C)N2c1ccccc1
InChIInChI=1S/C64H68N2.C60H60N2.C58H56N2.C56H52N2O2.C56H52N2S2/c1-57(2)37-59(5,6)63(11)51-35-41(27-29-53(51)65(61(63,9)39-57)49-19-15-13-16-20-49)47-31-43-23-25-45-33-48(34-46-26-24-44(32-47)55(43)56(45)46)42-28-30-54-52(36-42)64(12)60(7,8)38-58(3,4)40-62(64,10)66(54)50-21-17-14-18-22-50;1-55(2)29-15-31-57(5)49-37-39(25-27-51(49)61(59(55,57)7)47-17-11-9-12-18-47)45-33-41-21-23-43-35-46(36-44-24-22-42(34-45)53(41)54(43)44)40-26-28-52-50(38-40)58(6)32-16-30-56(3,4)60(58,8)62(52)48-19-13-10-14-20-48;1-37-29-51-49(55(3)25-13-15-27-57(55,5)59(51)45-17-9-7-10-18-45)35-47(37)43-31-39-21-23-41-33-44(34-42-24-22-40(32-43)53(39)54(41)42)48-36-50-52(30-38(48)2)60(46-19-11-8-12-20-46)58(6)28-16-14-26-56(50,58)4;2*1-53-27-11-13-29-55(53,59-3)47-35-37(23-25-49(47)57(53)45-15-7-5-8-16-45)43-31-39-19-21-41-33-44(34-42-22-20-40(32-43)51(39)52(41)42)38-24-26-50-48(36-38)56(60-4)30-14-12-28-54(56,2)58(50)46-17-9-6-10-18-46/h13-36H,37-40H2,1-12H3;9-14,17-28,33-38H,15-16,29-32H2,1-8H3;7-12,17-24,29-36H,13-16,25-28H2,1-6H3;2*5-10,15-26,31-36H,11-14,27-30H2,1-4H3
InChIKeyGSEZHWDMBDSJRI-UHFFFAOYSA-N
MW4057.74 g/mol
LogP81.21
Rot. Bonds24

About 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

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 (PubChem CID 158350111) has the molecular formula C294H288N10O2S2 and a molecular weight of 4057.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID158350111
Molecular FormulaC294H288N10O2S2
Molecular Weight4057.74 g/mol
Exact Mass4054.22
IUPAC Name6-[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
SMILESCC1(C)CC(C)(C)C2(C)c3cc(-c4cc5ccc6cc(-c7ccc8c(c7)C7(C)C(C)(C)CC(C)(C)CC7(C)N8c7ccccc7)cc7ccc(c4)c5c67)ccc3N(c3ccccc3)C2(C)C1.CC1(C)CCCC2(C)c3cc(-c4cc5ccc6cc(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)cc7ccc(c4)c5c67)ccc3N(c3ccccc3)C12C.COC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C6(OC)CCCCC6(C)N7c6ccccc6)cc6ccc(c3)c4c56)cc12.CSC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C6(SC)CCCCC6(C)N7c6ccccc6)cc6ccc(c3)c4c56)cc12.Cc1cc2c(cc1-c1cc3ccc4cc(-c5cc6c(cc5C)N(c5ccccc5)C5(C)CCCCC65C)cc5ccc(c1)c3c45)C1(C)CCCCC1(C)N2c1ccccc1
InChIInChI=1S/C64H68N2.C60H60N2.C58H56N2.C56H52N2O2.C56H52N2S2/c1-57(2)37-59(5,6)63(11)51-35-41(27-29-53(51)65(61(63,9)39-57)49-19-15-13-16-20-49)47-31-43-23-25-45-33-48(34-46-26-24-44(32-47)55(43)56(45)46)42-28-30-54-52(36-42)64(12)60(7,8)38-58(3,4)40-62(64,10)66(54)50-21-17-14-18-22-50;1-55(2)29-15-31-57(5)49-37-39(25-27-51(49)61(59(55,57)7)47-17-11-9-12-18-47)45-33-41-21-23-43-35-46(36-44-24-22-42(34-45)53(41)54(43)44)40-26-28-52-50(38-40)58(6)32-16-30-56(3,4)60(58,8)62(52)48-19-13-10-14-20-48;1-37-29-51-49(55(3)25-13-15-27-57(55,5)59(51)45-17-9-7-10-18-45)35-47(37)43-31-39-21-23-41-33-44(34-42-24-22-40(32-43)53(39)54(41)42)48-36-50-52(30-38(48)2)60(46-19-11-8-12-20-46)58(6)28-16-14-26-56(50,58)4;2*1-53-27-11-13-29-55(53,59-3)47-35-37(23-25-49(47)57(53)45-15-7-5-8-16-45)43-31-39-19-21-41-33-44(34-42-22-20-40(32-43)51(39)52(41)42)38-24-26-50-48(36-38)56(60-4)30-14-12-28-54(56,2)58(50)46-17-9-6-10-18-46/h13-36H,37-40H2,1-12H3;9-14,17-28,33-38H,15-16,29-32H2,1-8H3;7-12,17-24,29-36H,13-16,25-28H2,1-6H3;2*5-10,15-26,31-36H,11-14,27-30H2,1-4H3
InChIKeyGSEZHWDMBDSJRI-UHFFFAOYSA-N
XLogP81.21
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004057.74
LogP ≤ 581.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 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-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 158039730
6-(3,5-dibromo-4-chlorophenyl)-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 166583647
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
3-(4a,9a-dimethyl-6-phenyl-1,2,3,4-tetrahydrocarbazol-9-yl)-N,N-bis(4-tert-butylphenyl)-5-methylaniline
CID 166015021
5a,10a-dimethyl-5-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
CID 142355577
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
6-[5-[4b,8a-dimethyl-9-(4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrocarbazole;6-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole;[4-[6-[5-[4b,8a-dimethyl-9-(4-trimethylsilylphenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]phenyl]-trimethylsilane;9-(4-fluorophenyl)-6-[5-[9-(4-fluorophenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole
CID 158150005
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
4a,9a-dimethyl-9-naphthalen-1-yl-6-[10,20,22-tris(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-4a,9a-dimethyl-6-[10,20,22-tris[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]-1,2,3,4-tetrahydrocarbazole
CID 160666768
11-(4a,9a-dimethyl-6-phenyl-1,2,3,4-tetrahydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-22,22-dimethyl-8,14-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 163961835
20-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-8-phenyl-8,21-diaza-1-borahexacyclo[11.8.1.114,18.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),14,16,18(23),19-decaene
CID 170689985

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CC(C)(C)C2(C)c3cc(-c4cc5ccc6cc(-c7ccc8c(c7)C7(C)C(C)(C)CC(C)(C)CC7(C)N8c7ccccc7)cc7ccc(c4)c5c67)ccc3N(c3ccccc3)C2(C)C1.CC1(C)CCCC2(C)c3cc(-c4cc5ccc6cc(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)cc7ccc(c4)c5c67)ccc3N(c3ccccc3)C12C.COC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C6(OC)CCCCC6(C)N7c6ccccc6)cc6ccc(c3)c4c56)cc12.CSC12CCCCC1(C)N(c1ccccc1)c1ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C6(SC)CCCCC6(C)N7c6ccccc6)cc6ccc(c3)c4c56)cc12.Cc1cc2c(cc1-c1cc3ccc4cc(-c5cc6c(cc5C)N(c5ccccc5)C5(C)CCCCC65C)cc5ccc(c1)c3c45)C1(C)CCCCC1(C)N2c1ccccc1.
What is the InChIKey of 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?
The InChIKey is GSEZHWDMBDSJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68N2.C60H60N2.C58H56N2.C56H52N2O2.C56H52N2S2/c1-57(2)37-59(5,6)63(11)51-35-41(27-29-53(51)65(61(63,9)39-57)49-19-15-13-16-20-49)47-31-43-23-25-45-33-48(34-46-26-24-44(32-47)55(43)56(45)46)42-28-30-54-52(36-42)64(12)60(7,8)38-58(3,4)40-62(64,10)66(54)50-21-17-14-18-22-50;1-55(2)29-15-31-57(5)49-37-39(25-27-51(49)61(59(55,57)7)47-17-11-9-12-18-47)45-33-41-21-23-43-35-46(36-44-24-22-42(34-45)53(41)54(43)44)40-26-28-52-50(38-40)58(6)32-16-30-56(3,4)60(58,8)62(52)48-19-13-10-14-20-48;1-37-29-51-49(55(3)25-13-15-27-57(55,5)59(51)45-17-9-7-10-18-45)35-47(37)43-31-39-21-23-41-33-44(34-42-24-22-40(32-43)53(39)54(41)42)48-36-50-52(30-38(48)2)60(46-19-11-8-12-20-46)58(6)28-16-14-26-56(50,58)4;2*1-53-27-11-13-29-55(53,59-3)47-35-37(23-25-49(47)57(53)45-15-7-5-8-16-45)43-31-39-19-21-41-33-44(34-42-22-20-40(32-43)51(39)52(41)42)38-24-26-50-48(36-38)56(60-4)30-14-12-28-54(56,2)58(50)46-17-9-6-10-18-46/h13-36H,37-40H2,1-12H3;9-14,17-28,33-38H,15-16,29-32H2,1-8H3;7-12,17-24,29-36H,13-16,25-28H2,1-6H3;2*5-10,15-26,31-36H,11-14,27-30H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 4057.74 g/mol, XLogP of 81.21, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158350111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).