9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole

C38H27NS — CID 163823418

IUPAC9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C38H27NS/c1-24-7-19-35-33(21-24)34-22-25(2)8-20-36(34)39(35)30-16-13-27(14-17-30)26-9-11-28(12-10-26)29-15-18-32-31-5-3-4-6-37(31)40-38(32)23-29/h3-23H,1-2H3
InChIKeyKKQLAMBMGJIDBR-UHFFFAOYSA-N
MW529.71 g/mol
LogP11.10
Rot. Bonds3

About 9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole

9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole (PubChem CID 163823418) has the molecular formula C38H27NS and a molecular weight of 529.71 g/mol. Its IUPAC name is 9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole
PubChem CID163823418
Molecular FormulaC38H27NS
Molecular Weight529.71 g/mol
Exact Mass529.19
IUPAC Name9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C38H27NS/c1-24-7-19-35-33(21-24)34-22-25(2)8-20-36(34)39(35)30-16-13-27(14-17-30)26-9-11-28(12-10-26)29-15-18-32-31-5-3-4-6-37(31)40-38(32)23-29/h3-23H,1-2H3
InChIKeyKKQLAMBMGJIDBR-UHFFFAOYSA-N
XLogP11.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.71
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
3-dibenzothiophen-2-yl-9-(6-methylnaphthalen-2-yl)carbazole
CID 145167239
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 145080082

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole (CID 163823418) is 9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of 9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is KKQLAMBMGJIDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NS/c1-24-7-19-35-33(21-24)34-22-25(2)8-20-36(34)39(35)30-16-13-27(14-17-30)26-9-11-28(12-10-26)29-15-18-32-31-5-3-4-6-37(31)40-38(32)23-29/h3-23H,1-2H3.
What are the key properties of 9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole?
9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 529.71 g/mol, XLogP of 11.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 163823418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).