N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine

C45H30N2O — CID 177112601

IUPACN,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(-c5ccccc5)cc5ccc6oc(-c7ccccc7)nc6c5c4c3)cc2)cc1
InChIInChI=1S/C45H30N2O/c1-5-13-31(14-6-1)32-21-24-37(25-22-32)47(36-19-11-4-12-20-36)38-26-27-39-40(33-15-7-2-8-16-33)29-35-23-28-42-44(43(35)41(39)30-38)46-45(48-42)34-17-9-3-10-18-34/h1-30H
InChIKeyIKZBXAHYMLDMRJ-UHFFFAOYSA-N
MW614.75 g/mol
LogP12.60
Rot. Bonds6

About N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine

N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine (PubChem CID 177112601) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
PubChem CID177112601
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC NameN,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(-c5ccccc5)cc5ccc6oc(-c7ccccc7)nc6c5c4c3)cc2)cc1
InChIInChI=1S/C45H30N2O/c1-5-13-31(14-6-1)32-21-24-37(25-22-32)47(36-19-11-4-12-20-36)38-26-27-39-40(33-15-7-2-8-16-33)29-35-23-28-42-44(43(35)41(39)30-38)46-45(48-42)34-17-9-3-10-18-34/h1-30H
InChIKeyIKZBXAHYMLDMRJ-UHFFFAOYSA-N
XLogP12.60
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 512.60
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-naphthalen-1-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177112477
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123759
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119498
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167124652
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N,4-diphenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-8-yl)phenyl]aniline
CID 170026606
8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine
CID 170247986
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123274
N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine
CID 171724750
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
N-(4-naphthalen-2-ylphenyl)-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112892
N,2-diphenyl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112677

Frequently Asked Questions

What is the IUPAC name of N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine?
The IUPAC name of N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine (CID 177112601) is N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine.
What is the SMILES notation for N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine?
The canonical SMILES for N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(-c5ccccc5)cc5ccc6oc(-c7ccccc7)nc6c5c4c3)cc2)cc1.
What is the InChIKey of N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine?
The InChIKey is IKZBXAHYMLDMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-5-13-31(14-6-1)32-21-24-37(25-22-32)47(36-19-11-4-12-20-36)38-26-27-39-40(33-15-7-2-8-16-33)29-35-23-28-42-44(43(35)41(39)30-38)46-45(48-42)34-17-9-3-10-18-34/h1-30H.
What are the key properties of N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine?
N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine has a molecular weight of 614.75 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine is sourced from PubChem (CID 177112601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).