3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole

C38H26BrNO2S — CID 177279524

IUPAC3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C38H26BrNO2S/c1-25-15-19-29(20-16-25)43(41,42)40-36-21-17-27(23-32(36)33-24-28(39)18-22-37(33)40)38(26-9-3-2-4-10-26)34-13-7-5-11-30(34)31-12-6-8-14-35(31)38/h2-24H,1H3
InChIKeyUZVYEYCLSPNZCD-UHFFFAOYSA-N
MW640.60 g/mol
LogP9.47
Rot. Bonds4

About 3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole

3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole (PubChem CID 177279524) has the molecular formula C38H26BrNO2S and a molecular weight of 640.60 g/mol. Its IUPAC name is 3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole.

Molecular Properties

Compound Name3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
PubChem CID177279524
Molecular FormulaC38H26BrNO2S
Molecular Weight640.60 g/mol
Exact Mass639.09
IUPAC Name3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C38H26BrNO2S/c1-25-15-19-29(20-16-25)43(41,42)40-36-21-17-27(23-32(36)33-24-28(39)18-22-37(33)40)38(26-9-3-2-4-10-26)34-13-7-5-11-30(34)31-12-6-8-14-35(31)38/h2-24H,1H3
InChIKeyUZVYEYCLSPNZCD-UHFFFAOYSA-N
XLogP9.47
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.60
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167052770
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
2-bromo-9-phenyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167214778
9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450
7-bromo-3-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068831
9,9-bis(3,4-dimethylphenyl)fluorene;9,9-bis(4-methylphenyl)fluorene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 161144042
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450
9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
CID 122401705
5-bromo-4-deuterio-1-(4-methylphenyl)sulfonyl-2-methylsulfanyl-3-phenylindole
CID 175784611

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole?
The IUPAC name of 3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole (CID 177279524) is 3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole.
What is the SMILES notation for 3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole?
The canonical SMILES for 3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole is Cc1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of 3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole?
The InChIKey is UZVYEYCLSPNZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26BrNO2S/c1-25-15-19-29(20-16-25)43(41,42)40-36-21-17-27(23-32(36)33-24-28(39)18-22-37(33)40)38(26-9-3-2-4-10-26)34-13-7-5-11-30(34)31-12-6-8-14-35(31)38/h2-24H,1H3.
What are the key properties of 3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole?
3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole has a molecular weight of 640.60 g/mol, XLogP of 9.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole is sourced from PubChem (CID 177279524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).