2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine

C40H34N4 — CID 59653212

IUPAC2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(-n4nc5ccc(N(c6ccccc6)c6ccccc6)cc5n4)cc3)cc2)cc1
InChIInChI=1S/C40H34N4/c1-40(2,3)33-22-18-31(19-23-33)29-14-16-30(17-15-29)32-20-24-36(25-21-32)44-41-38-27-26-37(28-39(38)42-44)43(34-10-6-4-7-11-34)35-12-8-5-9-13-35/h4-28H,1-3H3
InChIKeyVUYGJGJFOVCIML-UHFFFAOYSA-N
MW570.74 g/mol
LogP10.52
Rot. Bonds6

About 2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine

2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine (PubChem CID 59653212) has the molecular formula C40H34N4 and a molecular weight of 570.74 g/mol. Its IUPAC name is 2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine.

Molecular Properties

Compound Name2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine
PubChem CID59653212
Molecular FormulaC40H34N4
Molecular Weight570.74 g/mol
Exact Mass570.28
IUPAC Name2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(-n4nc5ccc(N(c6ccccc6)c6ccccc6)cc5n4)cc3)cc2)cc1
InChIInChI=1S/C40H34N4/c1-40(2,3)33-22-18-31(19-23-33)29-14-16-30(17-15-29)32-20-24-36(25-21-32)44-41-38-27-26-37(28-39(38)42-44)43(34-10-6-4-7-11-34)35-12-8-5-9-13-35/h4-28H,1-3H3
InChIKeyVUYGJGJFOVCIML-UHFFFAOYSA-N
XLogP10.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
CID 161309398
N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
CID 144768909
3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 149332303
1-N,3-N-bis[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816003
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
4-tert-butyl-N,N-diphenylaniline
CID 11312667
2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-5-piperidin-1-ylbenzotriazole
CID 59653210
N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine
CID 155316676
4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59844233
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine?
The IUPAC name of 2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine (CID 59653212) is 2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine.
What is the SMILES notation for 2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine?
The canonical SMILES for 2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine is CC(C)(C)c1ccc(-c2ccc(-c3ccc(-n4nc5ccc(N(c6ccccc6)c6ccccc6)cc5n4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine?
The InChIKey is VUYGJGJFOVCIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4/c1-40(2,3)33-22-18-31(19-23-33)29-14-16-30(17-15-29)32-20-24-36(25-21-32)44-41-38-27-26-37(28-39(38)42-44)43(34-10-6-4-7-11-34)35-12-8-5-9-13-35/h4-28H,1-3H3.
What are the key properties of 2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine?
2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine has a molecular weight of 570.74 g/mol, XLogP of 10.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine is sourced from PubChem (CID 59653212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).