N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine

C48H33N11 — CID 161309398

IUPACN-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
SMILESc1ccc(N(c2ccc(-n3nc4ccccc4n3)cc2)c2ccc(-n3nc4ccc(N(c5ccccc5)c5ccc(-n6nc7ccccc7n6)cc5)cc4n3)cc2)cc1
InChIInChI=1S/C48H33N11/c1-3-11-34(12-4-1)55(36-19-25-39(26-20-36)57-49-43-15-7-8-16-44(43)50-57)37-21-27-41(28-22-37)59-53-47-32-31-42(33-48(47)54-59)56(35-13-5-2-6-14-35)38-23-29-40(30-24-38)58-51-45-17-9-10-18-46(45)52-58/h1-33H
InChIKeyZXDQMKADEVYBOG-UHFFFAOYSA-N
MW763.87 g/mol
LogP10.83
Rot. Bonds9

About N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine

N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine (PubChem CID 161309398) has the molecular formula C48H33N11 and a molecular weight of 763.87 g/mol. Its IUPAC name is N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine.

Molecular Properties

Compound NameN-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
PubChem CID161309398
Molecular FormulaC48H33N11
Molecular Weight763.87 g/mol
Exact Mass763.29
IUPAC NameN-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
SMILESc1ccc(N(c2ccc(-n3nc4ccccc4n3)cc2)c2ccc(-n3nc4ccc(N(c5ccccc5)c5ccc(-n6nc7ccccc7n6)cc5)cc4n3)cc2)cc1
InChIInChI=1S/C48H33N11/c1-3-11-34(12-4-1)55(36-19-25-39(26-20-36)57-49-43-15-7-8-16-44(43)50-57)37-21-27-41(28-22-37)59-53-47-32-31-42(33-48(47)54-59)56(35-13-5-2-6-14-35)38-23-29-40(30-24-38)58-51-45-17-9-10-18-46(45)52-58/h1-33H
InChIKeyZXDQMKADEVYBOG-UHFFFAOYSA-N
XLogP10.83
TPSA98.61 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500763.87
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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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,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
CID 144768909
2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine
CID 59653212
3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 149332303
N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine
CID 155317863
N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine
CID 155316676
N,N-bis[4-(benzotriazol-2-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 155317824
N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 164740317
N-[4-[4-[N-[2-[3-[4-[N-[5-(benzotriazol-2-yl)thiophen-2-yl]-4-[4-[4-(N-[5-(benzotriazol-2-yl)thiophen-2-yl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]benzotriazol-5-yl]-4-[3-[N-(4-indol-1-ylphenyl)-4-[4-[4-(N-(4-indol-1-ylphenyl)anilino)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,2-diphenylbenzotriazol-5-amine
CID 163609357
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine?
The IUPAC name of N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine (CID 161309398) is N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine.
What is the SMILES notation for N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine?
The canonical SMILES for N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine is c1ccc(N(c2ccc(-n3nc4ccccc4n3)cc2)c2ccc(-n3nc4ccc(N(c5ccccc5)c5ccc(-n6nc7ccccc7n6)cc5)cc4n3)cc2)cc1.
What is the InChIKey of N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine?
The InChIKey is ZXDQMKADEVYBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N11/c1-3-11-34(12-4-1)55(36-19-25-39(26-20-36)57-49-43-15-7-8-16-44(43)50-57)37-21-27-41(28-22-37)59-53-47-32-31-42(33-48(47)54-59)56(35-13-5-2-6-14-35)38-23-29-40(30-24-38)58-51-45-17-9-10-18-46(45)52-58/h1-33H.
What are the key properties of N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine?
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine has a molecular weight of 763.87 g/mol, XLogP of 10.83, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine is sourced from PubChem (CID 161309398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).