N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine

C54H38N8 — CID 144768909

IUPACN,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc6nn(-c7ccccc7)nc6c5)cc4)c3)cc2)c2ccc3nn(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C54H38N8/c1-5-16-43(17-6-1)59(49-32-34-51-53(37-49)57-61(55-51)47-20-9-3-10-21-47)45-28-24-39(25-29-45)41-14-13-15-42(36-41)40-26-30-46(31-27-40)60(44-18-7-2-8-19-44)50-33-35-52-54(38-50)58-62(56-52)48-22-11-4-12-23-48/h1-38H
InChIKeyXRBCEGXFFBYXED-UHFFFAOYSA-N
MW798.95 g/mol
LogP13.43
Rot. Bonds10

About N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine

N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine (PubChem CID 144768909) has the molecular formula C54H38N8 and a molecular weight of 798.95 g/mol. Its IUPAC name is N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine.

Molecular Properties

Compound NameN,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
PubChem CID144768909
Molecular FormulaC54H38N8
Molecular Weight798.95 g/mol
Exact Mass798.32
IUPAC NameN,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc6nn(-c7ccccc7)nc6c5)cc4)c3)cc2)c2ccc3nn(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C54H38N8/c1-5-16-43(17-6-1)59(49-32-34-51-53(37-49)57-61(55-51)47-20-9-3-10-21-47)45-28-24-39(25-29-45)41-14-13-15-42(36-41)40-26-30-46(31-27-40)60(44-18-7-2-8-19-44)50-33-35-52-54(38-50)58-62(56-52)48-22-11-4-12-23-48/h1-38H
InChIKeyXRBCEGXFFBYXED-UHFFFAOYSA-N
XLogP13.43
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.95
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 149332303
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
CID 161309398
2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine
CID 59653212
N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine
CID 155316676
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 164740317
2-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-e]benzotriazol-9-amine
CID 170254413
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine?
The IUPAC name of N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine (CID 144768909) is N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine.
What is the SMILES notation for N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine?
The canonical SMILES for N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine is c1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc6nn(-c7ccccc7)nc6c5)cc4)c3)cc2)c2ccc3nn(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine?
The InChIKey is XRBCEGXFFBYXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N8/c1-5-16-43(17-6-1)59(49-32-34-51-53(37-49)57-61(55-51)47-20-9-3-10-21-47)45-28-24-39(25-29-45)41-14-13-15-42(36-41)40-26-30-46(31-27-40)60(44-18-7-2-8-19-44)50-33-35-52-54(38-50)58-62(56-52)48-22-11-4-12-23-48/h1-38H.
What are the key properties of N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine?
N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine has a molecular weight of 798.95 g/mol, XLogP of 13.43, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-[4-[3-[4-(N-(2-phenylbenzotriazol-5-yl)anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine is sourced from PubChem (CID 144768909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).