4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine

C41H29N3O — CID 59500994

IUPAC4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C41H29N3O/c1-3-14-32(15-4-1)43(33-16-5-2-6-17-33)34-26-28-36(29-27-34)44(39-20-11-13-30-12-7-8-18-37(30)39)35-24-22-31(23-25-35)41-42-38-19-9-10-21-40(38)45-41/h1-29H
InChIKeyHSJJYLGPWXXTPK-UHFFFAOYSA-N
MW579.70 g/mol
LogP11.59
Rot. Bonds7

About 4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 59500994) has the molecular formula C41H29N3O and a molecular weight of 579.70 g/mol. Its IUPAC name is 4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID59500994
Molecular FormulaC41H29N3O
Molecular Weight579.70 g/mol
Exact Mass579.23
IUPAC Name4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C41H29N3O/c1-3-14-32(15-4-1)43(33-16-5-2-6-17-33)34-26-28-36(29-27-34)44(39-20-11-13-30-12-7-8-18-37(30)39)35-24-22-31(23-25-35)41-42-38-19-9-10-21-40(38)45-41/h1-29H
InChIKeyHSJJYLGPWXXTPK-UHFFFAOYSA-N
XLogP11.59
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine
CID 155402854
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825
1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 160948340
N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine
CID 165150263
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine (CID 59500994) is 4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is HSJJYLGPWXXTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O/c1-3-14-32(15-4-1)43(33-16-5-2-6-17-33)34-26-28-36(29-27-34)44(39-20-11-13-30-12-7-8-18-37(30)39)35-24-22-31(23-25-35)41-42-38-19-9-10-21-40(38)45-41/h1-29H.
What are the key properties of 4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 579.70 g/mol, XLogP of 11.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 59500994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).