3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole

C49H31N3S — CID 67816856

IUPAC3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccccc2-n2c(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C49H31N3S/c1-2-14-32(15-3-1)36-18-4-8-24-43(36)52-46-26-10-7-23-42(46)50-49(52)34-16-12-17-35(30-34)51-44-25-9-5-19-38(44)41-31-33(28-29-45(41)51)37-21-13-22-40-39-20-6-11-27-47(39)53-48(37)40/h1-31H
InChIKeyDSQOAVFDSVKKAH-UHFFFAOYSA-N
MW693.88 g/mol
LogP13.49
Rot. Bonds5

About 3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole

3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole (PubChem CID 67816856) has the molecular formula C49H31N3S and a molecular weight of 693.88 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
PubChem CID67816856
Molecular FormulaC49H31N3S
Molecular Weight693.88 g/mol
Exact Mass693.22
IUPAC Name3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccccc2-n2c(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C49H31N3S/c1-2-14-32(15-3-1)36-18-4-8-24-43(36)52-46-26-10-7-23-42(46)50-49(52)34-16-12-17-35(30-34)51-44-25-9-5-19-38(44)41-31-33(28-29-45(41)51)37-21-13-22-40-39-20-6-11-27-47(39)53-48(37)40/h1-31H
InChIKeyDSQOAVFDSVKKAH-UHFFFAOYSA-N
XLogP13.49
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.88
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzothiophen-4-yl-9-[3-(1,7-diphenylbenzimidazol-2-yl)phenyl]carbazole
CID 67818577
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
9-(3-dibenzothiophen-4-ylphenyl)carbazole
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3-dibenzothiophen-4-yl-9-[2-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 158750427
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
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5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole (CID 67816856) is 3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole is c1ccc(-c2ccccc2-n2c(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)nc3ccccc32)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole?
The InChIKey is DSQOAVFDSVKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3S/c1-2-14-32(15-3-1)36-18-4-8-24-43(36)52-46-26-10-7-23-42(46)50-49(52)34-16-12-17-35(30-34)51-44-25-9-5-19-38(44)41-31-33(28-29-45(41)51)37-21-13-22-40-39-20-6-11-27-47(39)53-48(37)40/h1-31H.
What are the key properties of 3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole?
3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole has a molecular weight of 693.88 g/mol, XLogP of 13.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole is sourced from PubChem (CID 67816856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).