2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline

C34H22N2 — CID 118487412

IUPAC2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4ccccc45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C34H22N2/c1-2-9-23(10-3-1)24-17-19-26(20-18-24)33-31-13-6-7-16-32(31)35-34(36-33)30-15-8-14-28-27-12-5-4-11-25(27)21-22-29(28)30/h1-22H
InChIKeyLHMBARVJTXWUAA-UHFFFAOYSA-N
MW458.56 g/mol
LogP8.94
Rot. Bonds3

About 2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline

2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline (PubChem CID 118487412) has the molecular formula C34H22N2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
PubChem CID118487412
Molecular FormulaC34H22N2
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4ccccc45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C34H22N2/c1-2-9-23(10-3-1)24-17-19-26(20-18-24)33-31-13-6-7-16-32(31)35-34(36-33)30-15-8-14-28-27-12-5-4-11-25(27)21-22-29(28)30/h1-22H
InChIKeyLHMBARVJTXWUAA-UHFFFAOYSA-N
XLogP8.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087669
2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087581
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline
CID 122487401
8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline
CID 159226043
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212
2,4-di(phenanthren-1-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598281
2-phenanthren-1-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 171598360
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline?
The IUPAC name of 2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline (CID 118487412) is 2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline?
The canonical SMILES for 2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline is c1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4ccccc45)nc4ccccc34)cc2)cc1.
What is the InChIKey of 2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline?
The InChIKey is LHMBARVJTXWUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2/c1-2-9-23(10-3-1)24-17-19-26(20-18-24)33-31-13-6-7-16-32(31)35-34(36-33)30-15-8-14-28-27-12-5-4-11-25(27)21-22-29(28)30/h1-22H.
What are the key properties of 2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline?
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline has a molecular weight of 458.56 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 118487412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).