N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline

C54H39N — CID 164831679

IUPACN-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C54H39N/c1-5-15-40(16-6-1)42-25-27-47(28-26-42)52-23-13-14-24-54(52)55(49-34-29-43(30-35-49)41-17-7-2-8-18-41)50-36-31-44(32-37-50)48-33-38-51(45-19-9-3-10-20-45)53(39-48)46-21-11-4-12-22-46/h1-39H
InChIKeyCKYCJFWAVBKFDL-UHFFFAOYSA-N
MW701.91 g/mol
LogP15.16
Rot. Bonds9

About N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline

N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline (PubChem CID 164831679) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
PubChem CID164831679
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC NameN-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C54H39N/c1-5-15-40(16-6-1)42-25-27-47(28-26-42)52-23-13-14-24-54(52)55(49-34-29-43(30-35-49)41-17-7-2-8-18-41)50-36-31-44(32-37-50)48-33-38-51(45-19-9-3-10-20-45)53(39-48)46-21-11-4-12-22-46/h1-39H
InChIKeyCKYCJFWAVBKFDL-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

N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
3,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254211
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine
CID 157328578
1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
CID 155010301
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline (CID 164831679) is N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline?
The InChIKey is CKYCJFWAVBKFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-5-15-40(16-6-1)42-25-27-47(28-26-42)52-23-13-14-24-54(52)55(49-34-29-43(30-35-49)41-17-7-2-8-18-41)50-36-31-44(32-37-50)48-33-38-51(45-19-9-3-10-20-45)53(39-48)46-21-11-4-12-22-46/h1-39H.
What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline?
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)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 N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 164831679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).