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

C53H33N3 — CID 122666016

IUPAC6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)cc4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C53H33N3/c1-2-13-39(14-3-1)53-55-49-21-11-9-19-45(49)51(56-53)38-29-24-36(25-30-38)35-22-27-37(28-23-35)46-33-47-50(43-17-7-6-16-42(43)46)44-18-8-10-20-48(44)54-52(47)41-31-26-34-12-4-5-15-40(34)32-41/h1-33H
InChIKeyYDLMIGRKAIXGNI-UHFFFAOYSA-N
MW711.87 g/mol
LogP13.97
Rot. Bonds5

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

6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine (PubChem CID 122666016) has the molecular formula C53H33N3 and a molecular weight of 711.87 g/mol. Its IUPAC name is 6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
PubChem CID122666016
Molecular FormulaC53H33N3
Molecular Weight711.87 g/mol
Exact Mass711.27
IUPAC Name6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)cc4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C53H33N3/c1-2-13-39(14-3-1)53-55-49-21-11-9-19-45(49)51(56-53)38-29-24-36(25-30-38)35-22-27-37(28-23-35)46-33-47-50(43-17-7-6-16-42(43)46)44-18-8-10-20-48(44)54-52(47)41-31-26-34-12-4-5-15-40(34)32-41/h1-33H
InChIKeyYDLMIGRKAIXGNI-UHFFFAOYSA-N
XLogP13.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.87
LogP ≤ 513.97
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-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666018
6-naphthalen-2-yl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665789
6-naphthalen-2-yl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665741
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-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665734
6-naphthalen-2-yl-8-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665748
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-[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
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665355
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-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665606

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine (CID 122666016) is 6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)cc4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine?
The InChIKey is YDLMIGRKAIXGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3/c1-2-13-39(14-3-1)53-55-49-21-11-9-19-45(49)51(56-53)38-29-24-36(25-30-38)35-22-27-37(28-23-35)46-33-47-50(43-17-7-6-16-42(43)46)44-18-8-10-20-48(44)54-52(47)41-31-26-34-12-4-5-15-40(34)32-41/h1-33H.
What are the key properties of 6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine?
6-naphthalen-2-yl-8-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine has a molecular weight of 711.87 g/mol, XLogP of 13.97, 5 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-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 122666016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).