2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine

C44H30N4 — CID 170254413

IUPAC2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6nn(-c7ccccc7)nc6c54)c3)cc2)cc1
InChIInChI=1S/C44H30N4/c1-4-10-31(11-5-1)33-18-23-37(24-19-33)47(38-25-20-34(21-26-38)32-12-6-2-7-13-32)40-27-28-41-36(30-40)17-16-35-22-29-42-44(43(35)41)46-48(45-42)39-14-8-3-9-15-39/h1-30H
InChIKeySIEUQQOXVBSCOY-UHFFFAOYSA-N
MW614.75 g/mol
LogP11.53
Rot. Bonds6

About 2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine

2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine (PubChem CID 170254413) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine.

Molecular Properties

Compound Name2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine
PubChem CID170254413
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6nn(-c7ccccc7)nc6c54)c3)cc2)cc1
InChIInChI=1S/C44H30N4/c1-4-10-31(11-5-1)33-18-23-37(24-19-33)47(38-25-20-34(21-26-38)32-12-6-2-7-13-32)40-27-28-41-36(30-40)17-16-35-22-29-42-44(43(35)41)46-48(45-42)39-14-8-3-9-15-39/h1-30H
InChIKeySIEUQQOXVBSCOY-UHFFFAOYSA-N
XLogP11.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine
CID 170254580
N-naphthalen-2-yl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)naphthalen-1-yl]dibenzofuran-3-amine
CID 170254578
N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
CID 144768909
N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
CID 144768912
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine
CID 153395124
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-e]benzotriazole
CID 168743066
N-dibenzofuran-1-yl-N,2-diphenylbenzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-N,2-diphenylnaphtho[1,2-e]benzotriazol-10-amine;N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)benzo[e]benzotriazol-8-amine;N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)benzo[e]benzotriazol-8-amine
CID 164956877
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine
CID 164740322
N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 164740317
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
N-dibenzothiophen-3-yl-2-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-e]benzotriazol-10-amine
CID 170254249
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine?
The IUPAC name of 2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine (CID 170254413) is 2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine.
What is the SMILES notation for 2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine?
The canonical SMILES for 2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6nn(-c7ccccc7)nc6c54)c3)cc2)cc1.
What is the InChIKey of 2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine?
The InChIKey is SIEUQQOXVBSCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-4-10-31(11-5-1)33-18-23-37(24-19-33)47(38-25-20-34(21-26-38)32-12-6-2-7-13-32)40-27-28-41-36(30-40)17-16-35-22-29-42-44(43(35)41)46-48(45-42)39-14-8-3-9-15-39/h1-30H.
What are the key properties of 2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine?
2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine has a molecular weight of 614.75 g/mol, XLogP of 11.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine is sourced from PubChem (CID 170254413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).