9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole

C42H27NS — CID 163988724

IUPAC9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C42H27NS/c1-2-9-31(10-3-1)34-13-8-15-39-42(34)36-12-4-6-14-38(36)43(39)33-24-21-29(22-25-33)28-17-19-30(20-18-28)32-23-26-41-37(27-32)35-11-5-7-16-40(35)44-41/h1-27H
InChIKeyXWIBZYJZCUZYSW-UHFFFAOYSA-N
MW577.75 g/mol
LogP12.15
Rot. Bonds4

About 9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole

9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole (PubChem CID 163988724) has the molecular formula C42H27NS and a molecular weight of 577.75 g/mol. Its IUPAC name is 9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
PubChem CID163988724
Molecular FormulaC42H27NS
Molecular Weight577.75 g/mol
Exact Mass577.19
IUPAC Name9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C42H27NS/c1-2-9-31(10-3-1)34-13-8-15-39-42(34)36-12-4-6-14-38(36)43(39)33-24-21-29(22-25-33)28-17-19-30(20-18-28)32-23-26-41-37(27-32)35-11-5-7-16-40(35)44-41/h1-27H
InChIKeyXWIBZYJZCUZYSW-UHFFFAOYSA-N
XLogP12.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
2-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole;2-dibenzothiophen-4-yl-9-(4-phenylphenyl)carbazole;4-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 157492203
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618
9-(4-dibenzothiophen-1-ylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961071
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole
CID 139496588
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole?
The IUPAC name of 9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole (CID 163988724) is 9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole.
What is the SMILES notation for 9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole?
The canonical SMILES for 9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole is c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of 9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole?
The InChIKey is XWIBZYJZCUZYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS/c1-2-9-31(10-3-1)34-13-8-15-39-42(34)36-12-4-6-14-38(36)43(39)33-24-21-29(22-25-33)28-17-19-30(20-18-28)32-23-26-41-37(27-32)35-11-5-7-16-40(35)44-41/h1-27H.
What are the key properties of 9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole?
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole has a molecular weight of 577.75 g/mol, XLogP of 12.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole is sourced from PubChem (CID 163988724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).