3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole

C36H23NS — CID 170279316

IUPAC3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)ccc23)cc1
InChIInChI=1S/C36H23NS/c1-3-9-24(10-4-1)26-16-20-34-32(21-26)29-13-7-8-14-33(29)37(34)28-17-19-31-30-18-15-27(25-11-5-2-6-12-25)22-35(30)38-36(31)23-28/h1-23H
InChIKeyVKKDJBBWJKIIPN-UHFFFAOYSA-N
MW501.65 g/mol
LogP10.49
Rot. Bonds3

About 3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole

3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole (PubChem CID 170279316) has the molecular formula C36H23NS and a molecular weight of 501.65 g/mol. Its IUPAC name is 3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole.

Molecular Properties

Compound Name3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
PubChem CID170279316
Molecular FormulaC36H23NS
Molecular Weight501.65 g/mol
Exact Mass501.16
IUPAC Name3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)ccc23)cc1
InChIInChI=1S/C36H23NS/c1-3-9-24(10-4-1)26-16-20-34-32(21-26)29-13-7-8-14-33(29)37(34)28-17-19-31-30-18-15-27(25-11-5-2-6-12-25)22-35(30)38-36(31)23-28/h1-23H
InChIKeyVKKDJBBWJKIIPN-UHFFFAOYSA-N
XLogP10.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.65
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
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
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 166953184
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole?
The IUPAC name of 3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole (CID 170279316) is 3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole.
What is the SMILES notation for 3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole?
The canonical SMILES for 3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole is c1ccc(-c2ccc3c(c2)sc2cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)ccc23)cc1.
What is the InChIKey of 3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole?
The InChIKey is VKKDJBBWJKIIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS/c1-3-9-24(10-4-1)26-16-20-34-32(21-26)29-13-7-8-14-33(29)37(34)28-17-19-31-30-18-15-27(25-11-5-2-6-12-25)22-35(30)38-36(31)23-28/h1-23H.
What are the key properties of 3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole?
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole has a molecular weight of 501.65 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole is sourced from PubChem (CID 170279316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).