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

C66H46N8 — CID 144768912

IUPACN-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
SMILESc1ccc(-c2ccc(-n3nc4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccc9nn(-c%10ccc(-c%11ccccc%11)cc%10)nc9c8)cc7)cc6)cc5)cc4n3)cc2)cc1
InChIInChI=1S/C66H46N8/c1-5-13-47(14-6-1)51-29-37-59(38-30-51)73-67-63-43-41-61(45-65(63)69-73)71(55-17-9-3-10-18-55)57-33-25-53(26-34-57)49-21-23-50(24-22-49)54-27-35-58(36-28-54)72(56-19-11-4-12-20-56)62-42-44-64-66(46-62)70-74(68-64)60-39-31-52(32-40-60)48-15-7-2-8-16-48/h1-46H
InChIKeyXEZWVEOYBXGBOB-UHFFFAOYSA-N
MW951.15 g/mol
LogP16.76
Rot. Bonds12

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

N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine (PubChem CID 144768912) has the molecular formula C66H46N8 and a molecular weight of 951.15 g/mol. Its IUPAC name is N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine.

Molecular Properties

Compound NameN-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
PubChem CID144768912
Molecular FormulaC66H46N8
Molecular Weight951.15 g/mol
Exact Mass950.38
IUPAC NameN-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine
SMILESc1ccc(-c2ccc(-n3nc4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccc9nn(-c%10ccc(-c%11ccccc%11)cc%10)nc9c8)cc7)cc6)cc5)cc4n3)cc2)cc1
InChIInChI=1S/C66H46N8/c1-5-13-47(14-6-1)51-29-37-59(38-30-51)73-67-63-43-41-61(45-65(63)69-73)71(55-17-9-3-10-18-55)57-33-25-53(26-34-57)49-21-23-50(24-22-49)54-27-35-58(36-28-54)72(56-19-11-4-12-20-56)62-42-44-64-66(46-62)70-74(68-64)60-39-31-52(32-40-60)48-15-7-2-8-16-48/h1-46H
InChIKeyXEZWVEOYBXGBOB-UHFFFAOYSA-N
XLogP16.76
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.15
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
3-(benzotriazol-2-yl)-N-[4-[4-[4-(N-[3-(benzotriazol-2-yl)phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 149332303
N-(4-chlorophenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzotriazol-5-amine
CID 155316676
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-[3-(benzotriazol-2-yl)phenyl]-N-[4-(benzotriazol-2-yl)phenyl]triphenylen-2-amine
CID 155317863
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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine?
The IUPAC name of 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) is N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine.
What is the SMILES notation for N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine?
The canonical SMILES for N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine is c1ccc(-c2ccc(-n3nc4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccc9nn(-c%10ccc(-c%11ccccc%11)cc%10)nc9c8)cc7)cc6)cc5)cc4n3)cc2)cc1.
What is the InChIKey of N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine?
The InChIKey is XEZWVEOYBXGBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N8/c1-5-13-47(14-6-1)51-29-37-59(38-30-51)73-67-63-43-41-61(45-65(63)69-73)71(55-17-9-3-10-18-55)57-33-25-53(26-34-57)49-21-23-50(24-22-49)54-27-35-58(36-28-54)72(56-19-11-4-12-20-56)62-42-44-64-66(46-62)70-74(68-64)60-39-31-52(32-40-60)48-15-7-2-8-16-48/h1-46H.
What are the key properties of N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine?
N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine has a molecular weight of 951.15 g/mol, XLogP of 16.76, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4-phenylphenyl)-N-[4-[4-[4-(N-[2-(4-phenylphenyl)benzotriazol-5-yl]anilino)phenyl]phenyl]phenyl]benzotriazol-5-amine is sourced from PubChem (CID 144768912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).