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

C48H35N5 — CID 153395124

IUPACN-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4nc5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5n4)cc3)cc2)cc1
InChIInChI=1S/C48H35N5/c1-5-13-36(14-6-1)38-21-25-42(26-22-38)51(40-17-9-3-10-18-40)44-29-31-45(32-30-44)53-49-47-34-33-46(35-48(47)50-53)52(41-19-11-4-12-20-41)43-27-23-39(24-28-43)37-15-7-2-8-16-37/h1-35H
InChIKeyGOZNEWVCWZWBBS-UHFFFAOYSA-N
MW681.84 g/mol
LogP12.69
Rot. Bonds9

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

N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine (PubChem CID 153395124) has the molecular formula C48H35N5 and a molecular weight of 681.84 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine
PubChem CID153395124
Molecular FormulaC48H35N5
Molecular Weight681.84 g/mol
Exact Mass681.29
IUPAC NameN-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4nc5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5n4)cc3)cc2)cc1
InChIInChI=1S/C48H35N5/c1-5-13-36(14-6-1)38-21-25-42(26-22-38)51(40-17-9-3-10-18-40)44-29-31-45(32-30-44)53-49-47-34-33-46(35-48(47)50-53)52(41-19-11-4-12-20-41)43-27-23-39(24-28-43)37-15-7-2-8-16-37/h1-35H
InChIKeyGOZNEWVCWZWBBS-UHFFFAOYSA-N
XLogP12.69
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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,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-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine (CID 153395124) is N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4nc5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5n4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine?
The InChIKey is GOZNEWVCWZWBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N5/c1-5-13-36(14-6-1)38-21-25-42(26-22-38)51(40-17-9-3-10-18-40)44-29-31-45(32-30-44)53-49-47-34-33-46(35-48(47)50-53)52(41-19-11-4-12-20-41)43-27-23-39(24-28-43)37-15-7-2-8-16-37/h1-35H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine?
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine has a molecular weight of 681.84 g/mol, XLogP of 12.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]benzotriazol-5-amine is sourced from PubChem (CID 153395124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).