N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline

C37H24N4O — CID 165150202

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4cc5ncccc5cc4n3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C37H24N4O/c1-2-8-29(9-3-1)41(31-19-14-26(15-20-31)37-40-33-10-4-5-11-36(33)42-37)30-17-12-25(13-18-30)32-21-16-28-23-34-27(7-6-22-38-34)24-35(28)39-32/h1-24H
InChIKeyUSYNGPNMSTWSQJ-UHFFFAOYSA-N
MW540.63 g/mol
LogP9.73
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline

N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline (PubChem CID 165150202) has the molecular formula C37H24N4O and a molecular weight of 540.63 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline
PubChem CID165150202
Molecular FormulaC37H24N4O
Molecular Weight540.63 g/mol
Exact Mass540.20
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4cc5ncccc5cc4n3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C37H24N4O/c1-2-8-29(9-3-1)41(31-19-14-26(15-20-31)37-40-33-10-4-5-11-36(33)42-37)30-17-12-25(13-18-30)32-21-16-28-23-34-27(7-6-22-38-34)24-35(28)39-32/h1-24H
InChIKeyUSYNGPNMSTWSQJ-UHFFFAOYSA-N
XLogP9.73
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-naphthalen-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463408
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-dibenzofuran-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463436
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(8-phenyl-1,7-naphthyridin-6-yl)aniline
CID 171463296
N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(8-phenyl-1,7-naphthyridin-6-yl)aniline
CID 171463430
4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59500994
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline (CID 165150202) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline is c1ccc(N(c2ccc(-c3ccc4cc5ncccc5cc4n3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline?
The InChIKey is USYNGPNMSTWSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4O/c1-2-8-29(9-3-1)41(31-19-14-26(15-20-31)37-40-33-10-4-5-11-36(33)42-37)30-17-12-25(13-18-30)32-21-16-28-23-34-27(7-6-22-38-34)24-35(28)39-32/h1-24H.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline has a molecular weight of 540.63 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-4-pyrido[2,3-g]quinolin-2-ylaniline is sourced from PubChem (CID 165150202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).