3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole

C49H35N — CID 139542507

IUPAC3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C49H35N/c1-4-12-35(13-5-1)37-20-26-40(27-21-37)49(41-28-22-38(23-29-41)36-14-6-2-7-15-36)42-30-24-39(25-31-42)43-32-33-48-46(34-43)45-18-10-11-19-47(45)50(48)44-16-8-3-9-17-44/h1-34,49H
InChIKeyITBAIJIMJCYJBC-UHFFFAOYSA-N
MW637.83 g/mol
LogP12.96
Rot. Bonds7

About 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole

3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole (PubChem CID 139542507) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
PubChem CID139542507
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC Name3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C49H35N/c1-4-12-35(13-5-1)37-20-26-40(27-21-37)49(41-28-22-38(23-29-41)36-14-6-2-7-15-36)42-30-24-39(25-31-42)43-32-33-48-46(34-43)45-18-10-11-19-47(45)50(48)44-16-8-3-9-17-44/h1-34,49H
InChIKeyITBAIJIMJCYJBC-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

9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 134168075
2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole
CID 165167768
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole (CID 139542507) is 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole is c1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?
The InChIKey is ITBAIJIMJCYJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-4-12-35(13-5-1)37-20-26-40(27-21-37)49(41-28-22-38(23-29-41)36-14-6-2-7-15-36)42-30-24-39(25-31-42)43-32-33-48-46(34-43)45-18-10-11-19-47(45)50(48)44-16-8-3-9-17-44/h1-34,49H.
What are the key properties of 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?
3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole 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 3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 139542507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).