6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine

C41H25N3 — CID 122665212

IUPAC6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)nc4ccccc34)cccc2c1
InChIInChI=1S/C41H25N3/c1-3-13-30-26(10-1)12-9-17-32(30)40-34-16-6-8-19-37(34)43-41(44-40)29-22-20-28(21-23-29)39-35-25-24-27-11-2-4-14-31(27)38(35)33-15-5-7-18-36(33)42-39/h1-25H
InChIKeyIVFUTFWAXRQESG-UHFFFAOYSA-N
MW559.67 g/mol
LogP10.64
Rot. Bonds3

About 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine

6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine (PubChem CID 122665212) has the molecular formula C41H25N3 and a molecular weight of 559.67 g/mol. Its IUPAC name is 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
PubChem CID122665212
Molecular FormulaC41H25N3
Molecular Weight559.67 g/mol
Exact Mass559.20
IUPAC Name6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)nc4ccccc34)cccc2c1
InChIInChI=1S/C41H25N3/c1-3-13-30-26(10-1)12-9-17-32(30)40-34-16-6-8-19-37(34)43-41(44-40)29-22-20-28(21-23-29)39-35-25-24-27-11-2-4-14-31(27)38(35)33-15-5-7-18-36(33)42-39/h1-25H
InChIKeyIVFUTFWAXRQESG-UHFFFAOYSA-N
XLogP10.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 510.64
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-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332316
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine
CID 122665268
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
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
6-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122666027
14-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123196

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine (CID 122665212) is 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine is c1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)nc4ccccc34)cccc2c1.
What is the InChIKey of 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine?
The InChIKey is IVFUTFWAXRQESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3/c1-3-13-30-26(10-1)12-9-17-32(30)40-34-16-6-8-19-37(34)43-41(44-40)29-22-20-28(21-23-29)39-35-25-24-27-11-2-4-14-31(27)38(35)33-15-5-7-18-36(33)42-39/h1-25H.
What are the key properties of 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine?
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine has a molecular weight of 559.67 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 122665212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).