9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole

C54H37N3O2S — CID 70661565

IUPAC9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole
SMILESO=S(=O)(c1ccccc1)n1c2ccc(-n3c4c(c5ccc(-c6ccccc6)cc53)C=CCC4)cc2c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)ccc21
InChIInChI=1S/C54H37N3O2S/c58-60(59,42-18-8-3-9-19-42)57-51-30-26-40(55-49-22-12-10-20-43(49)45-28-24-38(32-53(45)55)36-14-4-1-5-15-36)34-47(51)48-35-41(27-31-52(48)57)56-50-23-13-11-21-44(50)46-29-25-39(33-54(46)56)37-16-6-2-7-17-37/h1-12,14-22,24-35H,13,23H2
InChIKeyINXGVSNANJWPND-UHFFFAOYSA-N
MW791.98 g/mol
LogP13.37
Rot. Bonds6

About 9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole

9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole (PubChem CID 70661565) has the molecular formula C54H37N3O2S and a molecular weight of 791.98 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole
PubChem CID70661565
Molecular FormulaC54H37N3O2S
Molecular Weight791.98 g/mol
Exact Mass791.26
IUPAC Name9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole
SMILESO=S(=O)(c1ccccc1)n1c2ccc(-n3c4c(c5ccc(-c6ccccc6)cc53)C=CCC4)cc2c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)ccc21
InChIInChI=1S/C54H37N3O2S/c58-60(59,42-18-8-3-9-19-42)57-51-30-26-40(55-49-22-12-10-20-43(49)45-28-24-38(32-53(45)55)36-14-4-1-5-15-36)34-47(51)48-35-41(27-31-52(48)57)56-50-23-13-11-21-44(50)46-29-25-39(33-54(46)56)37-16-6-2-7-17-37/h1-12,14-22,24-35H,13,23H2
InChIKeyINXGVSNANJWPND-UHFFFAOYSA-N
XLogP13.37
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.98
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole
CID 88878835
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 170205076
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
2-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-2-yl]-9H-carbazole
CID 144578976
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 168748082
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole?
The IUPAC name of 9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole (CID 70661565) is 9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole.
What is the SMILES notation for 9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole?
The canonical SMILES for 9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole is O=S(=O)(c1ccccc1)n1c2ccc(-n3c4c(c5ccc(-c6ccccc6)cc53)C=CCC4)cc2c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)ccc21.
What is the InChIKey of 9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole?
The InChIKey is INXGVSNANJWPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O2S/c58-60(59,42-18-8-3-9-19-42)57-51-30-26-40(55-49-22-12-10-20-43(49)45-28-24-38(32-53(45)55)36-14-4-1-5-15-36)34-47(51)48-35-41(27-31-52(48)57)56-50-23-13-11-21-44(50)46-29-25-39(33-54(46)56)37-16-6-2-7-17-37/h1-12,14-22,24-35H,13,23H2.
What are the key properties of 9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole?
9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole has a molecular weight of 791.98 g/mol, XLogP of 13.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 70661565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).