2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline

C66H48N2 — CID 121387002

IUPAC2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H48N2/c1-5-19-49(20-6-1)51-33-41-57(42-34-51)67(65-31-17-15-29-63(65)53-23-9-3-10-24-53)59-45-37-55(38-46-59)61-27-13-14-28-62(61)56-39-47-60(48-40-56)68(58-43-35-52(36-44-58)50-21-7-2-8-22-50)66-32-18-16-30-64(66)54-25-11-4-12-26-54/h1-48H
InChIKeyWNZQOOFEQMWJBN-UHFFFAOYSA-N
MW869.12 g/mol
LogP18.63
Rot. Bonds12

About 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline

2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline (PubChem CID 121387002) has the molecular formula C66H48N2 and a molecular weight of 869.12 g/mol. Its IUPAC name is 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
PubChem CID121387002
Molecular FormulaC66H48N2
Molecular Weight869.12 g/mol
Exact Mass868.38
IUPAC Name2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H48N2/c1-5-19-49(20-6-1)51-33-41-57(42-34-51)67(65-31-17-15-29-63(65)53-23-9-3-10-24-53)59-45-37-55(38-46-59)61-27-13-14-28-62(61)56-39-47-60(48-40-56)68(58-43-35-52(36-44-58)50-21-7-2-8-22-50)66-32-18-16-30-64(66)54-25-11-4-12-26-54/h1-48H
InChIKeyWNZQOOFEQMWJBN-UHFFFAOYSA-N
XLogP18.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.12
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
3,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254211
CID 174066282
CID 174066282
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline?
The IUPAC name of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline (CID 121387002) is 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline?
The canonical SMILES for 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline?
The InChIKey is WNZQOOFEQMWJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2/c1-5-19-49(20-6-1)51-33-41-57(42-34-51)67(65-31-17-15-29-63(65)53-23-9-3-10-24-53)59-45-37-55(38-46-59)61-27-13-14-28-62(61)56-39-47-60(48-40-56)68(58-43-35-52(36-44-58)50-21-7-2-8-22-50)66-32-18-16-30-64(66)54-25-11-4-12-26-54/h1-48H.
What are the key properties of 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline?
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline has a molecular weight of 869.12 g/mol, XLogP of 18.63, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 121387002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).