6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol

C29H19NO — CID 149095798

IUPAC6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol
SMILESOc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3c2c1
InChIInChI=1S/C29H19NO/c31-23-15-17-27-26(18-23)28-24-9-5-4-8-21(24)14-16-25(28)29(30-27)22-12-10-20(11-13-22)19-6-2-1-3-7-19/h1-18,31H
InChIKeyQTOMBUIIBUZYCB-UHFFFAOYSA-N
MW397.48 g/mol
LogP7.58
Rot. Bonds2

About 6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol

6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol (PubChem CID 149095798) has the molecular formula C29H19NO and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol.

Molecular Properties

Compound Name6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol
PubChem CID149095798
Molecular FormulaC29H19NO
Molecular Weight397.48 g/mol
Exact Mass397.15
IUPAC Name6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol
SMILESOc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3c2c1
InChIInChI=1S/C29H19NO/c31-23-15-17-27-26(18-23)28-24-9-5-4-8-21(24)14-16-25(28)29(30-27)22-12-10-20(11-13-22)19-6-2-1-3-7-19/h1-18,31H
InChIKeyQTOMBUIIBUZYCB-UHFFFAOYSA-N
XLogP7.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane
CID 140759791
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
4-[2-(4,6-diphenyl-2-pyridinyl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171054917
6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
6-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666066
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
CID 155249235

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol?
The IUPAC name of 6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol (CID 149095798) is 6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol.
What is the SMILES notation for 6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol?
The canonical SMILES for 6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol is Oc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3c2c1.
What is the InChIKey of 6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol?
The InChIKey is QTOMBUIIBUZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NO/c31-23-15-17-27-26(18-23)28-24-9-5-4-8-21(24)14-16-25(28)29(30-27)22-12-10-20(11-13-22)19-6-2-1-3-7-19/h1-18,31H.
What are the key properties of 6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol?
6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol has a molecular weight of 397.48 g/mol, XLogP of 7.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol is sourced from PubChem (CID 149095798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).