3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole

C46H29N — CID 126633217

IUPAC3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6cc6c7ccccc7c7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C46H29N/c1-2-13-34(14-3-1)47-43-21-11-10-19-39(43)41-28-32(26-27-44(41)47)30-22-24-31(25-23-30)45-35-15-5-4-12-33(35)29-42-38-18-7-6-16-36(38)37-17-8-9-20-40(37)46(42)45/h1-29H
InChIKeySEFFOWDQBCXLMV-UHFFFAOYSA-N
MW595.75 g/mol
LogP12.73
Rot. Bonds3

About 3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole

3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole (PubChem CID 126633217) has the molecular formula C46H29N and a molecular weight of 595.75 g/mol. Its IUPAC name is 3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole
PubChem CID126633217
Molecular FormulaC46H29N
Molecular Weight595.75 g/mol
Exact Mass595.23
IUPAC Name3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6cc6c7ccccc7c7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C46H29N/c1-2-13-34(14-3-1)47-43-21-11-10-19-39(43)41-28-32(26-27-44(41)47)30-22-24-31(25-23-30)45-35-15-5-4-12-33(35)29-42-38-18-7-6-16-36(38)37-17-8-9-20-40(37)46(42)45/h1-29H
InChIKeySEFFOWDQBCXLMV-UHFFFAOYSA-N
XLogP12.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.75
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole
CID 126617968
3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole
CID 121309011
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-phenyl-3-[4-(10-phenylanthracen-1-yl)phenyl]carbazole
CID 141374936
3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159711358
9-(4-benzo[b]triphenylen-9-ylphenyl)-3,6-ditert-butylcarbazole
CID 126633197
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole
CID 159520886
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]phenanthren-9-amine
CID 163572862

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole?
The IUPAC name of 3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole (CID 126633217) is 3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole?
The canonical SMILES for 3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6cc6c7ccccc7c7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of 3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole?
The InChIKey is SEFFOWDQBCXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N/c1-2-13-34(14-3-1)47-43-21-11-10-19-39(43)41-28-32(26-27-44(41)47)30-22-24-31(25-23-30)45-35-15-5-4-12-33(35)29-42-38-18-7-6-16-36(38)37-17-8-9-20-40(37)46(42)45/h1-29H.
What are the key properties of 3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole?
3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole has a molecular weight of 595.75 g/mol, XLogP of 12.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 126633217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).