3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline

C54H38N8 — CID 149332303

IUPAC3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc(-n6nc7ccccc7n6)c5)cc4)cc3)cc2)c2cccc(-n3nc4ccccc4n3)c2)cc1
InChIInChI=1S/C54H38N8/c1-3-13-43(14-4-1)59(47-17-11-19-49(37-47)61-55-51-21-7-8-22-52(51)56-61)45-33-29-41(30-34-45)39-25-27-40(28-26-39)42-31-35-46(36-32-42)60(44-15-5-2-6-16-44)48-18-12-20-50(38-48)62-57-53-23-9-10-24-54(53)58-62/h1-38H
InChIKeyYCOAFKNOWBTATH-UHFFFAOYSA-N
MW798.95 g/mol
LogP13.43
Rot. Bonds10

About 3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline

3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline (PubChem CID 149332303) has the molecular formula C54H38N8 and a molecular weight of 798.95 g/mol. Its IUPAC name is 3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline
PubChem CID149332303
Molecular FormulaC54H38N8
Molecular Weight798.95 g/mol
Exact Mass798.32
IUPAC Name3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc(-n6nc7ccccc7n6)c5)cc4)cc3)cc2)c2cccc(-n3nc4ccccc4n3)c2)cc1
InChIInChI=1S/C54H38N8/c1-3-13-43(14-4-1)59(47-17-11-19-49(37-47)61-55-51-21-7-8-22-52(51)56-61)45-33-29-41(30-34-45)39-25-27-40(28-26-39)42-31-35-46(36-32-42)60(44-15-5-2-6-16-44)48-18-12-20-50(38-48)62-57-53-23-9-10-24-54(53)58-62/h1-38H
InChIKeyYCOAFKNOWBTATH-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,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
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
CID 161309398
N-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine
CID 155317863
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
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
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,2-diphenyl-N-(2-phenylbenzotriazol-5-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 164740317

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline (CID 149332303) is 3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc(-n6nc7ccccc7n6)c5)cc4)cc3)cc2)c2cccc(-n3nc4ccccc4n3)c2)cc1.
What is the InChIKey of 3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline?
The InChIKey is YCOAFKNOWBTATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N8/c1-3-13-43(14-4-1)59(47-17-11-19-49(37-47)61-55-51-21-7-8-22-52(51)56-61)45-33-29-41(30-34-45)39-25-27-40(28-26-39)42-31-35-46(36-32-42)60(44-15-5-2-6-16-44)48-18-12-20-50(38-48)62-57-53-23-9-10-24-54(53)58-62/h1-38H.
What are the key properties of 3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline?
3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline 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 3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 149332303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).