7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole

C114H72N6S2 — CID 162164972

IUPAC7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)ccc32)cc1
InChIInChI=1S/C42H26N2S.C36H22N2S.C36H24N2/c1-3-11-29(12-4-1)43-36-17-9-7-15-31(36)34-25-27(19-22-37(34)43)28-20-23-38-35(26-28)41-39(44(38)30-13-5-2-6-14-30)24-21-33-32-16-8-10-18-40(32)45-42(33)41;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-20-24(18-19-33(28)37)38-32-16-8-5-13-26(32)29-21-30-27-14-6-9-17-35(27)39-36(30)22-34(29)38;1-3-11-25(12-4-1)26-19-21-28(22-20-26)38-34-18-10-8-16-30(34)32-23-31-29-15-7-9-17-33(29)37(35(31)24-36(32)38)27-13-5-2-6-14-27/h1-26H;1-22H;1-24H
InChIKeyZMZOWGFHIQPWSF-UHFFFAOYSA-N
MW1590.01 g/mol
LogP31.71
Rot. Bonds8

About 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole

7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole (PubChem CID 162164972) has the molecular formula C114H72N6S2 and a molecular weight of 1590.01 g/mol. Its IUPAC name is 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
PubChem CID162164972
Molecular FormulaC114H72N6S2
Molecular Weight1590.01 g/mol
Exact Mass1588.53
IUPAC Name7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)ccc32)cc1
InChIInChI=1S/C42H26N2S.C36H22N2S.C36H24N2/c1-3-11-29(12-4-1)43-36-17-9-7-15-31(36)34-25-27(19-22-37(34)43)28-20-23-38-35(26-28)41-39(44(38)30-13-5-2-6-14-30)24-21-33-32-16-8-10-18-40(32)45-42(33)41;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-20-24(18-19-33(28)37)38-32-16-8-5-13-26(32)29-21-30-27-14-6-9-17-35(27)39-36(30)22-34(29)38;1-3-11-25(12-4-1)26-19-21-28(22-20-26)38-34-18-10-8-16-30(34)32-23-31-29-15-7-9-17-33(29)37(35(31)24-36(32)38)27-13-5-2-6-14-27/h1-26H;1-22H;1-24H
InChIKeyZMZOWGFHIQPWSF-UHFFFAOYSA-N
XLogP31.71
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001590.01
LogP ≤ 531.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole with MolForge

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Related Compounds

10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
5-(3-phenylphenyl)-24-(4-phenylphenyl)-15-thia-5,24-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2,4(12),6,8,10,13,17(25),18,20,22,26-dodecaene
CID 171588281
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
3-(9-phenylcarbazol-3-yl)-9-(18-phenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)carbazole
CID 135171603
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400

Frequently Asked Questions

What is the IUPAC name of 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole?
The IUPAC name of 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole (CID 162164972) is 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole.
What is the SMILES notation for 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole?
The canonical SMILES for 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)ccc32)cc1.
What is the InChIKey of 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole?
The InChIKey is ZMZOWGFHIQPWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S.C36H22N2S.C36H24N2/c1-3-11-29(12-4-1)43-36-17-9-7-15-31(36)34-25-27(19-22-37(34)43)28-20-23-38-35(26-28)41-39(44(38)30-13-5-2-6-14-30)24-21-33-32-16-8-10-18-40(32)45-42(33)41;1-2-10-23(11-3-1)37-31-15-7-4-12-25(31)28-20-24(18-19-33(28)37)38-32-16-8-5-13-26(32)29-21-30-27-14-6-9-17-35(27)39-36(30)22-34(29)38;1-3-11-25(12-4-1)26-19-21-28(22-20-26)38-34-18-10-8-16-30(34)32-23-31-29-15-7-9-17-33(29)37(35(31)24-36(32)38)27-13-5-2-6-14-27/h1-26H;1-22H;1-24H.
What are the key properties of 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole?
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole has a molecular weight of 1590.01 g/mol, XLogP of 31.71, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 162164972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).