6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine

C43H27N3 — CID 122665219

IUPAC6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)nc4ccccc34)c2)cc1
InChIInChI=1S/C43H27N3/c1-2-11-28(12-3-1)32-14-10-15-33(27-32)42-36-18-7-9-20-39(36)45-43(46-42)31-23-21-30(22-24-31)41-37-26-25-29-13-4-5-16-34(29)40(37)35-17-6-8-19-38(35)44-41/h1-27H
InChIKeyMLTKGUHXTYOJQJ-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

About 6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine

6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine (PubChem CID 122665219) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
PubChem CID122665219
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)nc4ccccc34)c2)cc1
InChIInChI=1S/C43H27N3/c1-2-11-28(12-3-1)32-14-10-15-33(27-32)42-36-18-7-9-20-39(36)45-43(46-42)31-23-21-30(22-24-31)41-37-26-25-29-13-4-5-16-34(29)40(37)35-17-6-8-19-38(35)44-41/h1-27H
InChIKeyMLTKGUHXTYOJQJ-UHFFFAOYSA-N
XLogP11.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.15
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-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 122665637
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 130316355
6-naphthalen-2-yl-8-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665699
1-[3-[4-(3-phenylphenyl)phenyl]phenyl]-3-[4-[4-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline
CID 118529117

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine (CID 122665219) is 6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)nc4ccccc34)c2)cc1.
What is the InChIKey of 6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine?
The InChIKey is MLTKGUHXTYOJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-2-11-28(12-3-1)32-14-10-15-33(27-32)42-36-18-7-9-20-39(36)45-43(46-42)31-23-21-30(22-24-31)41-37-26-25-29-13-4-5-16-34(29)40(37)35-17-6-8-19-38(35)44-41/h1-27H.
What are the key properties of 6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine?
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine has a molecular weight of 585.71 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 122665219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).