3-dibenzothiophen-3-yl-9-phenylcarbazole

C30H19NS — CID 121324897

IUPAC3-dibenzothiophen-3-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)cc1
InChIInChI=1S/C30H19NS/c1-2-8-22(9-3-1)31-27-12-6-4-10-23(27)26-18-20(15-17-28(26)31)21-14-16-25-24-11-5-7-13-29(24)32-30(25)19-21/h1-19H
InChIKeyJBCYVVRHEPYWBP-UHFFFAOYSA-N
MW425.56 g/mol
LogP8.82
Rot. Bonds2

About 3-dibenzothiophen-3-yl-9-phenylcarbazole

3-dibenzothiophen-3-yl-9-phenylcarbazole (PubChem CID 121324897) has the molecular formula C30H19NS and a molecular weight of 425.56 g/mol. Its IUPAC name is 3-dibenzothiophen-3-yl-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzothiophen-3-yl-9-phenylcarbazole
PubChem CID121324897
Molecular FormulaC30H19NS
Molecular Weight425.56 g/mol
Exact Mass425.12
IUPAC Name3-dibenzothiophen-3-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)cc1
InChIInChI=1S/C30H19NS/c1-2-8-22(9-3-1)31-27-12-6-4-10-23(27)26-18-20(15-17-28(26)31)21-14-16-25-24-11-5-7-13-29(24)32-30(25)19-21/h1-19H
InChIKeyJBCYVVRHEPYWBP-UHFFFAOYSA-N
XLogP8.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-3-yl-9-phenylcarbazole?
The IUPAC name of 3-dibenzothiophen-3-yl-9-phenylcarbazole (CID 121324897) is 3-dibenzothiophen-3-yl-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzothiophen-3-yl-9-phenylcarbazole?
The canonical SMILES for 3-dibenzothiophen-3-yl-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4ccccc45)ccc32)cc1.
What is the InChIKey of 3-dibenzothiophen-3-yl-9-phenylcarbazole?
The InChIKey is JBCYVVRHEPYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NS/c1-2-8-22(9-3-1)31-27-12-6-4-10-23(27)26-18-20(15-17-28(26)31)21-14-16-25-24-11-5-7-13-29(24)32-30(25)19-21/h1-19H.
What are the key properties of 3-dibenzothiophen-3-yl-9-phenylcarbazole?
3-dibenzothiophen-3-yl-9-phenylcarbazole has a molecular weight of 425.56 g/mol, XLogP of 8.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-3-yl-9-phenylcarbazole is sourced from PubChem (CID 121324897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).