2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

C54H39N — CID 174254123

IUPAC2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H39N/c1-5-17-40(18-6-1)42-29-34-47(35-30-42)55(54-38-33-46(41-19-7-2-8-20-41)39-53(54)44-23-11-4-12-24-44)48-36-31-45(32-37-48)50-26-14-16-28-52(50)51-27-15-13-25-49(51)43-21-9-3-10-22-43/h1-39H
InChIKeyXIJIWSHTQOUSRX-UHFFFAOYSA-N
MW701.91 g/mol
LogP15.16
Rot. Bonds9

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

2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 174254123) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
PubChem CID174254123
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC Name2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H39N/c1-5-17-40(18-6-1)42-29-34-47(35-30-42)55(54-38-33-46(41-19-7-2-8-20-41)39-53(54)44-23-11-4-12-24-44)48-36-31-45(32-37-48)50-26-14-16-28-52(50)51-27-15-13-25-49(51)43-21-9-3-10-22-43/h1-39H
InChIKeyXIJIWSHTQOUSRX-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.91
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 174254123) is 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is XIJIWSHTQOUSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-5-17-40(18-6-1)42-29-34-47(35-30-42)55(54-38-33-46(41-19-7-2-8-20-41)39-53(54)44-23-11-4-12-24-44)48-36-31-45(32-37-48)50-26-14-16-28-52(50)51-27-15-13-25-49(51)43-21-9-3-10-22-43/h1-39H.
What are the key properties of 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 701.91 g/mol, XLogP of 15.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 174254123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).