N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine

C43H28N2O — CID 165150263

IUPACN-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)c3cccc4cc5ccccc5cc34)ccc2c1
InChIInChI=1S/C43H28N2O/c1-2-10-34-27-38(25-22-29(34)8-1)45(41-14-7-12-36-26-33-9-3-4-11-35(33)28-39(36)41)37-23-20-31(21-24-37)30-16-18-32(19-17-30)43-44-40-13-5-6-15-42(40)46-43/h1-28H
InChIKeyOXGNWPRCLFKIMQ-UHFFFAOYSA-N
MW588.71 g/mol
LogP12.09
Rot. Bonds5

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

N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine (PubChem CID 165150263) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine
PubChem CID165150263
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC NameN-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)c3cccc4cc5ccccc5cc34)ccc2c1
InChIInChI=1S/C43H28N2O/c1-2-10-34-27-38(25-22-29(34)8-1)45(41-14-7-12-36-26-33-9-3-4-11-35(33)28-39(36)41)37-23-20-31(21-24-37)30-16-18-32(19-17-30)43-44-40-13-5-6-15-42(40)46-43/h1-28H
InChIKeyOXGNWPRCLFKIMQ-UHFFFAOYSA-N
XLogP12.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825
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,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082451
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzofuran-2-yl-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 171736391
7-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 155473486
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-cinnolin-4-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404598
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]dibenzofuran-4-amine
CID 155402854
N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 171410345

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine?
The IUPAC name of N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine (CID 165150263) is N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine.
What is the SMILES notation for N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine?
The canonical SMILES for N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine is c1ccc2cc(N(c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)c3cccc4cc5ccccc5cc34)ccc2c1.
What is the InChIKey of N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine?
The InChIKey is OXGNWPRCLFKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-2-10-34-27-38(25-22-29(34)8-1)45(41-14-7-12-36-26-33-9-3-4-11-35(33)28-39(36)41)37-23-20-31(21-24-37)30-16-18-32(19-17-30)43-44-40-13-5-6-15-42(40)46-43/h1-28H.
What are the key properties of N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine?
N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine has a molecular weight of 588.71 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine is sourced from PubChem (CID 165150263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).