3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine

C43H27N3 — CID 122487385

IUPAC3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc6c7ccccc7c7ccccc7c6cn5)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C43H27N3/c1-2-11-28(12-3-1)29-21-23-30(24-22-29)42-37-19-8-9-20-40(37)45-43(46-42)32-14-10-13-31(25-32)41-26-38-35-17-6-4-15-33(35)34-16-5-7-18-36(34)39(38)27-44-41/h1-27H
InChIKeyJAGZLKPWYZOSBD-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

About 3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine

3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine (PubChem CID 122487385) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine
PubChem CID122487385
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc6c7ccccc7c7ccccc7c6cn5)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C43H27N3/c1-2-11-28(12-3-1)29-21-23-30(24-22-29)42-37-19-8-9-20-40(37)45-43(46-42)32-14-10-13-31(25-32)41-26-38-35-17-6-4-15-33(35)34-16-5-7-18-36(34)39(38)27-44-41/h1-27H
InChIKeyJAGZLKPWYZOSBD-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

4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
CID 59575272
3-[3-(3-phenanthro[9,10-c]pyridin-3-ylphenyl)phenyl]phenanthro[9,10-c]pyridine
CID 59575267
22-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475063
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575305
22-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475317
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819149
6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819141

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine?
The IUPAC name of 3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine (CID 122487385) is 3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine.
What is the SMILES notation for 3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine?
The canonical SMILES for 3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cc6c7ccccc7c7ccccc7c6cn5)c4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine?
The InChIKey is JAGZLKPWYZOSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-2-11-28(12-3-1)29-21-23-30(24-22-29)42-37-19-8-9-20-40(37)45-43(46-42)32-14-10-13-31(25-32)41-26-38-35-17-6-4-15-33(35)34-16-5-7-18-36(34)39(38)27-44-41/h1-27H.
What are the key properties of 3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine?
3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine 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 3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine is sourced from PubChem (CID 122487385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).