3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline

C66H49N3 — CID 126502501

IUPAC3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4)cc3)c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C66H49N3/c1-6-18-50(19-7-1)51-32-40-64(41-33-51)69(66-31-17-22-57(49-66)54-38-44-63(45-39-54)68(60-27-12-4-13-28-60)61-29-14-5-15-30-61)65-46-36-53(37-47-65)56-21-16-20-55(48-56)52-34-42-62(43-35-52)67(58-23-8-2-9-24-58)59-25-10-3-11-26-59/h1-49H
InChIKeyMOHUBOWJNZIBQU-UHFFFAOYSA-N
MW884.14 g/mol
LogP18.76
Rot. Bonds13

About 3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline

3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 126502501) has the molecular formula C66H49N3 and a molecular weight of 884.14 g/mol. Its IUPAC name is 3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID126502501
Molecular FormulaC66H49N3
Molecular Weight884.14 g/mol
Exact Mass883.39
IUPAC Name3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4)cc3)c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C66H49N3/c1-6-18-50(19-7-1)51-32-40-64(41-33-51)69(66-31-17-22-57(49-66)54-38-44-63(45-39-54)68(60-27-12-4-13-28-60)61-29-14-5-15-30-61)65-46-36-53(37-47-65)56-21-16-20-55(48-56)52-34-42-62(43-35-52)67(58-23-8-2-9-24-58)59-25-10-3-11-26-59/h1-49H
InChIKeyMOHUBOWJNZIBQU-UHFFFAOYSA-N
XLogP18.76
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.14
LogP ≤ 518.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
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-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
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,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823

Frequently Asked Questions

What is the IUPAC name of 3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 126502501) is 3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4)cc3)c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of 3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is MOHUBOWJNZIBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N3/c1-6-18-50(19-7-1)51-32-40-64(41-33-51)69(66-31-17-22-57(49-66)54-38-44-63(45-39-54)68(60-27-12-4-13-28-60)61-29-14-5-15-30-61)65-46-36-53(37-47-65)56-21-16-20-55(48-56)52-34-42-62(43-35-52)67(58-23-8-2-9-24-58)59-25-10-3-11-26-59/h1-49H.
What are the key properties of 3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 884.14 g/mol, XLogP of 18.76, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 126502501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).