N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

C54H39N — CID 174254099

IUPACN,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H39N/c1-6-20-40(21-7-1)45-38-52(42-24-10-3-11-25-42)54(53(39-45)43-26-12-4-13-27-43)55(46-28-14-5-15-29-46)47-36-34-44(35-37-47)49-31-17-19-33-51(49)50-32-18-16-30-48(50)41-22-8-2-9-23-41/h1-39H
InChIKeyOKDTYFOSAYMTPH-UHFFFAOYSA-N
MW701.91 g/mol
LogP15.16
Rot. Bonds9

About N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 174254099) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
PubChem CID174254099
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC NameN,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H39N/c1-6-20-40(21-7-1)45-38-52(42-24-10-3-11-25-42)54(53(39-45)43-26-12-4-13-27-43)55(46-28-14-5-15-29-46)47-36-34-44(35-37-47)49-31-17-19-33-51(49)50-32-18-16-30-48(50)41-22-8-2-9-23-41/h1-39H
InChIKeyOKDTYFOSAYMTPH-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

Analyze N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline with MolForge

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Related Compounds

2,4,6-triphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(2,4,6-triphenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132240
ethane;N,N,2,4,6-pentakis-phenylaniline
CID 158163955
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254112
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 164813761

Frequently Asked Questions

What is the IUPAC name of N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 174254099) is N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is OKDTYFOSAYMTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-6-20-40(21-7-1)45-38-52(42-24-10-3-11-25-42)54(53(39-45)43-26-12-4-13-27-43)55(46-28-14-5-15-29-46)47-36-34-44(35-37-47)49-31-17-19-33-51(49)50-32-18-16-30-48(50)41-22-8-2-9-23-41/h1-39H.
What are the key properties of N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
N,2,4,6-tetraphenyl-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 N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 174254099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).