12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole

C125H80N4S4 — CID 157483474

IUPAC12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cc3)cc21.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)cc2)cc1.c1ccc2c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)cccc2c1.c1ccc2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)ccc2c1
InChIInChI=1S/C39H27NS.C30H19NS.2C28H17NS/c1-39(2)32-12-6-3-9-27(32)28-20-17-25(23-33(28)39)24-15-18-26(19-16-24)40-34-13-7-4-10-29(34)30-21-22-36-37(38(30)40)31-11-5-8-14-35(31)41-36;1-2-8-20(9-3-1)21-14-16-22(17-15-21)31-26-12-6-4-10-23(26)24-18-19-28-29(30(24)31)25-11-5-7-13-27(25)32-28;1-2-10-19-18(8-1)9-7-14-23(19)29-24-13-5-3-11-20(24)21-16-17-26-27(28(21)29)22-12-4-6-15-25(22)30-26;1-2-8-19-17-20(14-13-18(19)7-1)29-24-11-5-3-9-21(24)22-15-16-26-27(28(22)29)23-10-4-6-12-25(23)30-26/h3-23H,1-2H3;1-19H;2*1-17H
InChIKeyBWKSILXSZBIOJO-UHFFFAOYSA-N
MW1766.31 g/mol
LogP36.55
Rot. Bonds6

About 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole

12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole (PubChem CID 157483474) has the molecular formula C125H80N4S4 and a molecular weight of 1766.31 g/mol. Its IUPAC name is 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
PubChem CID157483474
Molecular FormulaC125H80N4S4
Molecular Weight1766.31 g/mol
Exact Mass1764.53
IUPAC Name12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cc3)cc21.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)cc2)cc1.c1ccc2c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)cccc2c1.c1ccc2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)ccc2c1
InChIInChI=1S/C39H27NS.C30H19NS.2C28H17NS/c1-39(2)32-12-6-3-9-27(32)28-20-17-25(23-33(28)39)24-15-18-26(19-16-24)40-34-13-7-4-10-29(34)30-21-22-36-37(38(30)40)31-11-5-8-14-35(31)41-36;1-2-8-20(9-3-1)21-14-16-22(17-15-21)31-26-12-6-4-10-23(26)24-18-19-28-29(30(24)31)25-11-5-7-13-27(25)32-28;1-2-10-19-18(8-1)9-7-14-23(19)29-24-13-5-3-11-20(24)21-16-17-26-27(28(21)29)22-12-4-6-15-25(22)30-26;1-2-8-19-17-20(14-13-18(19)7-1)29-24-11-5-3-9-21(24)22-15-16-26-27(28(22)29)23-10-4-6-12-25(23)30-26/h3-23H,1-2H3;1-19H;2*1-17H
InChIKeyBWKSILXSZBIOJO-UHFFFAOYSA-N
XLogP36.55
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001766.31
LogP ≤ 536.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole with MolForge

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Related Compounds

18-dibenzothiophen-2-yl-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene;18-(9,9-dimethylfluoren-2-yl)-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene;9,18-diphenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene;9-naphthalen-1-yl-18-(4-phenylphenyl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 159607719
7,7-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole;3-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;9-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 161246000
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 160645669
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-[4-(11-naphthalen-1-ylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 160984128
9,9-dimethyl-N-[3-(12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122578472
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole
CID 167243655
2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 159745382
18-(9,9-dimethylfluoren-2-yl)-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-1-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-naphthalen-2-yl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(9-phenyl-9H-fluoren-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14-(9-phenylcarbazol-3-yl)-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;18-phenyl-14-(9-phenylcarbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 159749262
9-(6-carbazol-9-ylnaphthalen-2-yl)carbazole;9-[4-[9-(4-carbazol-9-ylphenyl)fluoren-9-yl]phenyl]carbazole;9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole;9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole;12-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole;9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 157423124

Frequently Asked Questions

What is the IUPAC name of 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole (CID 157483474) is 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cc3)cc21.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)cc2)cc1.c1ccc2c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)cccc2c1.c1ccc2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)ccc2c1.
What is the InChIKey of 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is BWKSILXSZBIOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NS.C30H19NS.2C28H17NS/c1-39(2)32-12-6-3-9-27(32)28-20-17-25(23-33(28)39)24-15-18-26(19-16-24)40-34-13-7-4-10-29(34)30-21-22-36-37(38(30)40)31-11-5-8-14-35(31)41-36;1-2-8-20(9-3-1)21-14-16-22(17-15-21)31-26-12-6-4-10-23(26)24-18-19-28-29(30(24)31)25-11-5-7-13-27(25)32-28;1-2-10-19-18(8-1)9-7-14-23(19)29-24-13-5-3-11-20(24)21-16-17-26-27(28(21)29)22-12-4-6-15-25(22)30-26;1-2-8-19-17-20(14-13-18(19)7-1)29-24-11-5-3-9-21(24)22-15-16-26-27(28(22)29)23-10-4-6-12-25(23)30-26/h3-23H,1-2H3;1-19H;2*1-17H.
What are the key properties of 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole?
12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 1766.31 g/mol, XLogP of 36.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 157483474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).