N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine

C48H33N3 — CID 156560738

IUPACN-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine
SMILESc1ccc(-c2ccc(N(c3nc(-c4ccccc4)c4c(ccc5ccccc54)n3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H33N3/c1-5-15-34(16-6-1)36-25-29-41(30-26-36)51(45-32-28-40(35-17-7-2-8-18-35)33-43(45)37-19-9-3-10-20-37)48-49-44-31-27-38-21-13-14-24-42(38)46(44)47(50-48)39-22-11-4-12-23-39/h1-33H
InChIKeyBDUDLCMVWDPFIQ-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.92
Rot. Bonds7

About N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine

N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine (PubChem CID 156560738) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine
PubChem CID156560738
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC NameN-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine
SMILESc1ccc(-c2ccc(N(c3nc(-c4ccccc4)c4c(ccc5ccccc54)n3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H33N3/c1-5-15-34(16-6-1)36-25-29-41(30-26-36)51(45-32-28-40(35-17-7-2-8-18-35)33-43(45)37-19-9-3-10-20-37)48-49-44-31-27-38-21-13-14-24-42(38)46(44)47(50-48)39-22-11-4-12-23-39/h1-33H
InChIKeyBDUDLCMVWDPFIQ-UHFFFAOYSA-N
XLogP12.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 512.92
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

N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine
CID 148573772
2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
CID 118369404
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 138622973
N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine
CID 171054294
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526923
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 167265283

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine (CID 156560738) is N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine is c1ccc(-c2ccc(N(c3nc(-c4ccccc4)c4c(ccc5ccccc54)n3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine?
The InChIKey is BDUDLCMVWDPFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-5-15-34(16-6-1)36-25-29-41(30-26-36)51(45-32-28-40(35-17-7-2-8-18-35)33-43(45)37-19-9-3-10-20-37)48-49-44-31-27-38-21-13-14-24-42(38)46(44)47(50-48)39-22-11-4-12-23-39/h1-33H.
What are the key properties of N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine?
N-(2,4-diphenylphenyl)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine has a molecular weight of 651.81 g/mol, XLogP of 12.92, 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)-1-phenyl-N-(4-phenylphenyl)benzo[f]quinazolin-3-amine is sourced from PubChem (CID 156560738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).