N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

C60H43N — CID 174254112

IUPACN,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)cc(-c4ccccc4)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C60H43N/c1-7-23-44(24-8-1)52-35-19-21-37-54(52)55-38-22-20-36-53(55)47-39-41-51(42-40-47)61(50-33-17-6-18-34-50)60-58(48-29-13-4-14-30-48)56(45-25-9-2-10-26-45)43-57(46-27-11-3-12-28-46)59(60)49-31-15-5-16-32-49/h1-43H
InChIKeyROWWKGMBZBBEEI-UHFFFAOYSA-N
MW778.01 g/mol
LogP16.83
Rot. Bonds10

About N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 174254112) has the molecular formula C60H43N and a molecular weight of 778.01 g/mol. Its IUPAC name is N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
PubChem CID174254112
Molecular FormulaC60H43N
Molecular Weight778.01 g/mol
Exact Mass777.34
IUPAC NameN,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)cc(-c4ccccc4)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C60H43N/c1-7-23-44(24-8-1)52-35-19-21-37-54(52)55-38-22-20-36-53(55)47-39-41-51(42-40-47)61(50-33-17-6-18-34-50)60-58(48-29-13-4-14-30-48)56(45-25-9-2-10-26-45)43-57(46-27-11-3-12-28-46)59(60)49-31-15-5-16-32-49/h1-43H
InChIKeyROWWKGMBZBBEEI-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.01
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254099
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
2,3,5-triphenyl-N-(3-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254180
10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845
2,4,6-triphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(2,4,6-triphenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132240
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
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
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629

Frequently Asked Questions

What is the IUPAC name of N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 174254112) is N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)cc(-c4ccccc4)c3-c3ccccc3)cc2)cc1.
What is the InChIKey of N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is ROWWKGMBZBBEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N/c1-7-23-44(24-8-1)52-35-19-21-37-54(52)55-38-22-20-36-53(55)47-39-41-51(42-40-47)61(50-33-17-6-18-34-50)60-58(48-29-13-4-14-30-48)56(45-25-9-2-10-26-45)43-57(46-27-11-3-12-28-46)59(60)49-31-15-5-16-32-49/h1-43H.
What are the key properties of N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 778.01 g/mol, XLogP of 16.83, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 174254112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).