2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole

C46H39NS — CID 166037441

IUPAC2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
SMILESc1cc(-c2ccccc2-n2c3cc(C4CCCC4)ccc3c3ccc(C4CCCC4)cc32)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C46H39NS/c1-2-12-30(11-1)32-23-25-38-39-26-24-33(31-13-3-4-14-31)29-44(39)47(43(38)28-32)42-21-7-5-17-36(42)34-15-9-16-35(27-34)37-19-10-20-41-40-18-6-8-22-45(40)48-46(37)41/h5-10,15-31H,1-4,11-14H2
InChIKeyPIDQNPDUQYPPLN-UHFFFAOYSA-N
MW637.89 g/mol
LogP13.80
Rot. Bonds5

About 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole

2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole (PubChem CID 166037441) has the molecular formula C46H39NS and a molecular weight of 637.89 g/mol. Its IUPAC name is 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
PubChem CID166037441
Molecular FormulaC46H39NS
Molecular Weight637.89 g/mol
Exact Mass637.28
IUPAC Name2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
SMILESc1cc(-c2ccccc2-n2c3cc(C4CCCC4)ccc3c3ccc(C4CCCC4)cc32)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C46H39NS/c1-2-12-30(11-1)32-23-25-38-39-26-24-33(31-13-3-4-14-31)29-44(39)47(43(38)28-32)42-21-7-5-17-36(42)34-15-9-16-35(27-34)37-19-10-20-41-40-18-6-8-22-45(40)48-46(37)41/h5-10,15-31H,1-4,11-14H2
InChIKeyPIDQNPDUQYPPLN-UHFFFAOYSA-N
XLogP13.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.89
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]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

5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297
2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156510
1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166037126
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155232338
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279

Frequently Asked Questions

What is the IUPAC name of 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The IUPAC name of 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole (CID 166037441) is 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The canonical SMILES for 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole is c1cc(-c2ccccc2-n2c3cc(C4CCCC4)ccc3c3ccc(C4CCCC4)cc32)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The InChIKey is PIDQNPDUQYPPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39NS/c1-2-12-30(11-1)32-23-25-38-39-26-24-33(31-13-3-4-14-31)29-44(39)47(43(38)28-32)42-21-7-5-17-36(42)34-15-9-16-35(27-34)37-19-10-20-41-40-18-6-8-22-45(40)48-46(37)41/h5-10,15-31H,1-4,11-14H2.
What are the key properties of 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole has a molecular weight of 637.89 g/mol, XLogP of 13.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dicyclopentyl-9-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 166037441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).