9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole

C42H27NS — CID 118534297

IUPAC9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)c4c3)c2)cc1
InChIInChI=1S/C42H27NS/c1-2-11-28(12-3-1)29-13-10-14-30(25-29)31-21-23-35-34-16-5-8-19-39(34)43(40(35)26-31)38-18-7-4-15-33(38)32-22-24-37-36-17-6-9-20-41(36)44-42(37)27-32/h1-27H
InChIKeyNQVCCTZTNMKOLQ-UHFFFAOYSA-N
MW577.75 g/mol
LogP12.15
Rot. Bonds4

About 9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole

9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole (PubChem CID 118534297) has the molecular formula C42H27NS and a molecular weight of 577.75 g/mol. Its IUPAC name is 9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
PubChem CID118534297
Molecular FormulaC42H27NS
Molecular Weight577.75 g/mol
Exact Mass577.19
IUPAC Name9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)c4c3)c2)cc1
InChIInChI=1S/C42H27NS/c1-2-11-28(12-3-1)29-13-10-14-30(25-29)31-21-23-35-34-16-5-8-19-39(34)43(40(35)26-31)38-18-7-4-15-33(38)32-22-24-37-36-17-6-9-20-41(36)44-42(37)27-32/h1-27H
InChIKeyNQVCCTZTNMKOLQ-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-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158873491
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline
CID 147107274
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 165005699
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500292
9-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-naphthalen-1-ylphenyl]carbazole
CID 172500215

Frequently Asked Questions

What is the IUPAC name of 9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole?
The IUPAC name of 9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole (CID 118534297) is 9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole.
What is the SMILES notation for 9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole?
The canonical SMILES for 9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5-c5ccc6c(c5)sc5ccccc56)c4c3)c2)cc1.
What is the InChIKey of 9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole?
The InChIKey is NQVCCTZTNMKOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS/c1-2-11-28(12-3-1)29-13-10-14-30(25-29)31-21-23-35-34-16-5-8-19-39(34)43(40(35)26-31)38-18-7-4-15-33(38)32-22-24-37-36-17-6-9-20-41(36)44-42(37)27-32/h1-27H.
What are the key properties of 9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole?
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole 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-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole is sourced from PubChem (CID 118534297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).