2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole

C49H35N — CID 144911594

IUPAC2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccc(-c5cccc(C(c6ccccc6)c6ccccc6)c5)cc43)c2)cc1
InChIInChI=1S/C49H35N/c1-4-16-35(17-5-1)38-22-14-24-41(32-38)43-26-10-12-28-46(43)50-47-29-13-11-27-44(47)45-31-30-40(34-48(45)50)39-23-15-25-42(33-39)49(36-18-6-2-7-19-36)37-20-8-3-9-21-37/h1-34,49H
InChIKeyIKEMBRZOYFKNMW-UHFFFAOYSA-N
MW637.83 g/mol
LogP12.96
Rot. Bonds7

About 2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole

2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole (PubChem CID 144911594) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is 2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole
PubChem CID144911594
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC Name2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccc(-c5cccc(C(c6ccccc6)c6ccccc6)c5)cc43)c2)cc1
InChIInChI=1S/C49H35N/c1-4-16-35(17-5-1)38-22-14-24-41(32-38)43-26-10-12-28-46(43)50-47-29-13-11-27-44(47)45-31-30-40(34-48(45)50)39-23-15-25-42(33-39)49(36-18-6-2-7-19-36)37-20-8-3-9-21-37/h1-34,49H
InChIKeyIKEMBRZOYFKNMW-UHFFFAOYSA-N
XLogP12.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
2-[9-[2-(3-naphthalen-2-ylphenyl)phenyl]carbazol-2-yl]-9-(2-phenylphenyl)carbazole
CID 142315112
7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847545
2-[9-[2-(3-naphthalen-2-ylphenyl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 142314944
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297
5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847706
3-[9-(2-phenylphenyl)carbazol-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 142315053
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 158933707
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142314929
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole?
The IUPAC name of 2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole (CID 144911594) is 2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole is c1ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccc(-c5cccc(C(c6ccccc6)c6ccccc6)c5)cc43)c2)cc1.
What is the InChIKey of 2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole?
The InChIKey is IKEMBRZOYFKNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-4-16-35(17-5-1)38-22-14-24-41(32-38)43-26-10-12-28-46(43)50-47-29-13-11-27-44(47)45-31-30-40(34-48(45)50)39-23-15-25-42(33-39)49(36-18-6-2-7-19-36)37-20-8-3-9-21-37/h1-34,49H.
What are the key properties of 2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole?
2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole has a molecular weight of 637.83 g/mol, XLogP of 12.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzhydrylphenyl)-9-[2-(3-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 144911594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).