3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole

C49H31N3S2 — CID 145202852

IUPAC3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESC1=CC2Sc3c(-c4nc5ccccc5n4-c4cccc5sc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c45)cccc3C2C=C1
InChIInChI=1S/C49H31N3S2/c1-2-12-32(13-3-1)51-40-19-7-4-14-33(40)37-28-30(24-26-41(37)51)31-25-27-45-38(29-31)47-43(21-11-23-46(47)53-45)52-42-20-8-6-18-39(42)50-49(52)36-17-10-16-35-34-15-5-9-22-44(34)54-48(35)36/h1-29,34,44H
InChIKeyDPGCFSKMNHFRJI-UHFFFAOYSA-N
MW725.94 g/mol
LogP13.51
Rot. Bonds4

About 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole

3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 145202852) has the molecular formula C49H31N3S2 and a molecular weight of 725.94 g/mol. Its IUPAC name is 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
PubChem CID145202852
Molecular FormulaC49H31N3S2
Molecular Weight725.94 g/mol
Exact Mass725.20
IUPAC Name3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESC1=CC2Sc3c(-c4nc5ccccc5n4-c4cccc5sc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c45)cccc3C2C=C1
InChIInChI=1S/C49H31N3S2/c1-2-12-32(13-3-1)51-40-19-7-4-14-33(40)37-28-30(24-26-41(37)51)31-25-27-45-38(29-31)47-43(21-11-23-46(47)53-45)52-42-20-8-6-18-39(42)50-49(52)36-17-10-16-35-34-15-5-9-22-44(34)54-48(35)36/h1-29,34,44H
InChIKeyDPGCFSKMNHFRJI-UHFFFAOYSA-N
XLogP13.51
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole 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-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 67121569
3-(5a,9a-dihydrodibenzothiophen-4-yl)-9-(2-anthracen-9-ylphenyl)carbazole
CID 123217032
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
1,2-diphenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-yl]benzo[e]benzimidazole
CID 134594980
3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 67816856
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485

Frequently Asked Questions

What is the IUPAC name of 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole (CID 145202852) is 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole is C1=CC2Sc3c(-c4nc5ccccc5n4-c4cccc5sc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c45)cccc3C2C=C1.
What is the InChIKey of 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?
The InChIKey is DPGCFSKMNHFRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3S2/c1-2-12-32(13-3-1)51-40-19-7-4-14-33(40)37-28-30(24-26-41(37)51)31-25-27-45-38(29-31)47-43(21-11-23-46(47)53-45)52-42-20-8-6-18-39(42)50-49(52)36-17-10-16-35-34-15-5-9-22-44(34)54-48(35)36/h1-29,34,44H.
What are the key properties of 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?
3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole has a molecular weight of 725.94 g/mol, XLogP of 13.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 145202852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).