N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine

C44H31N3 — CID 148573772

IUPACN-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine
SMILESc1ccc(-c2ccc(N(c3nc(-c4ccccc4)c4ccccc4n3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C44H31N3/c1-5-15-32(16-6-1)34-25-28-38(29-26-34)47(44-45-41-24-14-13-23-39(41)43(46-44)36-21-11-4-12-22-36)42-30-27-37(33-17-7-2-8-18-33)31-40(42)35-19-9-3-10-20-35/h1-31H
InChIKeyMXJQUKVXWZIOMZ-UHFFFAOYSA-N
MW601.75 g/mol
LogP11.77
Rot. Bonds7

About N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine

N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine (PubChem CID 148573772) has the molecular formula C44H31N3 and a molecular weight of 601.75 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine
PubChem CID148573772
Molecular FormulaC44H31N3
Molecular Weight601.75 g/mol
Exact Mass601.25
IUPAC NameN-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine
SMILESc1ccc(-c2ccc(N(c3nc(-c4ccccc4)c4ccccc4n3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C44H31N3/c1-5-15-32(16-6-1)34-25-28-38(29-26-34)47(44-45-41-24-14-13-23-39(41)43(46-44)36-21-11-4-12-22-36)42-30-27-37(33-17-7-2-8-18-33)31-40(42)35-19-9-3-10-20-35/h1-31H
InChIKeyMXJQUKVXWZIOMZ-UHFFFAOYSA-N
XLogP11.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine
CID 156560738
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 138622973
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine;4-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine;4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine
CID 159086512
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 169063064

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine (CID 148573772) is N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine is c1ccc(-c2ccc(N(c3nc(-c4ccccc4)c4ccccc4n3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine?
The InChIKey is MXJQUKVXWZIOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3/c1-5-15-32(16-6-1)34-25-28-38(29-26-34)47(44-45-41-24-14-13-23-39(41)43(46-44)36-21-11-4-12-22-36)42-30-27-37(33-17-7-2-8-18-33)31-40(42)35-19-9-3-10-20-35/h1-31H.
What are the key properties of N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine?
N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine has a molecular weight of 601.75 g/mol, XLogP of 11.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine is sourced from PubChem (CID 148573772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).