6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine

C47H29N3 — CID 122665734

IUPAC6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3cccc(-c4cc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c5ccccc45)c3)nc3ccccc23)cc1
InChIInChI=1S/C47H29N3/c1-2-14-31(15-3-1)45-39-22-9-11-24-43(39)49-47(50-45)35-18-12-17-33(28-35)40-29-41-44(37-20-7-6-19-36(37)40)38-21-8-10-23-42(38)48-46(41)34-26-25-30-13-4-5-16-32(30)27-34/h1-29H
InChIKeyPCHHQIAVZILDHB-UHFFFAOYSA-N
MW635.77 g/mol
LogP12.31
Rot. Bonds4

About 6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine

6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine (PubChem CID 122665734) has the molecular formula C47H29N3 and a molecular weight of 635.77 g/mol. Its IUPAC name is 6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
PubChem CID122665734
Molecular FormulaC47H29N3
Molecular Weight635.77 g/mol
Exact Mass635.24
IUPAC Name6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3cccc(-c4cc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c5ccccc45)c3)nc3ccccc23)cc1
InChIInChI=1S/C47H29N3/c1-2-14-31(15-3-1)45-39-22-9-11-24-43(39)49-47(50-45)35-18-12-17-33(28-35)40-29-41-44(37-20-7-6-19-36(37)40)38-21-8-10-23-42(38)48-46(41)34-26-25-30-13-4-5-16-32(30)27-34/h1-29H
InChIKeyPCHHQIAVZILDHB-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-naphthalen-2-yl-8-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665748
6-naphthalen-2-yl-8-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665699
6-naphthalen-2-yl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665741
6-naphthalen-2-yl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665789
6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666016
6-naphthalen-2-yl-8-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666018
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665355
6-naphthalen-2-yl-8-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 158624617
8-[3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665704
8-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665427
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332224
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine (CID 122665734) is 6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine is c1ccc(-c2nc(-c3cccc(-c4cc5c(-c6ccc7ccccc7c6)nc6ccccc6c5c5ccccc45)c3)nc3ccccc23)cc1.
What is the InChIKey of 6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine?
The InChIKey is PCHHQIAVZILDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3/c1-2-14-31(15-3-1)45-39-22-9-11-24-43(39)49-47(50-45)35-18-12-17-33(28-35)40-29-41-44(37-20-7-6-19-36(37)40)38-21-8-10-23-42(38)48-46(41)34-26-25-30-13-4-5-16-32(30)27-34/h1-29H.
What are the key properties of 6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine?
6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine has a molecular weight of 635.77 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 122665734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).