3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole

C38H24N2S — CID 118315209

IUPAC3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccccc5c5cc6c(ccn6-c6ccccc6)cc54)cccc23)cc1
InChIInChI=1S/C38H24N2S/c1-3-11-25(12-4-1)28-16-9-17-30-31-18-10-20-34(38(31)41-37(28)30)40-33-19-8-7-15-29(33)32-24-35-26(23-36(32)40)21-22-39(35)27-13-5-2-6-14-27/h1-24H
InChIKeyCJFIVFMKJZTDOW-UHFFFAOYSA-N
MW540.69 g/mol
LogP10.76
Rot. Bonds3

About 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole

3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole (PubChem CID 118315209) has the molecular formula C38H24N2S and a molecular weight of 540.69 g/mol. Its IUPAC name is 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole
PubChem CID118315209
Molecular FormulaC38H24N2S
Molecular Weight540.69 g/mol
Exact Mass540.17
IUPAC Name3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccccc5c5cc6c(ccn6-c6ccccc6)cc54)cccc23)cc1
InChIInChI=1S/C38H24N2S/c1-3-11-25(12-4-1)28-16-9-17-30-31-18-10-20-34(38(31)41-37(28)30)40-33-19-8-7-15-29(33)32-24-35-26(23-36(32)40)21-22-39(35)27-13-5-2-6-14-27/h1-24H
InChIKeyCJFIVFMKJZTDOW-UHFFFAOYSA-N
XLogP10.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.69
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole
CID 118315191
10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 118316007
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole
CID 118315607
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline
CID 90062777
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
16-(3,5-diphenylphenyl)-10-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223381

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole?
The IUPAC name of 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole (CID 118315209) is 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole.
What is the SMILES notation for 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole?
The canonical SMILES for 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole is c1ccc(-c2cccc3c2sc2c(-n4c5ccccc5c5cc6c(ccn6-c6ccccc6)cc54)cccc23)cc1.
What is the InChIKey of 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole?
The InChIKey is CJFIVFMKJZTDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2S/c1-3-11-25(12-4-1)28-16-9-17-30-31-18-10-20-34(38(31)41-37(28)30)40-33-19-8-7-15-29(33)32-24-35-26(23-36(32)40)21-22-39(35)27-13-5-2-6-14-27/h1-24H.
What are the key properties of 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole?
3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole has a molecular weight of 540.69 g/mol, XLogP of 10.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 118315209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).