N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine

C55H39N — CID 137232562

IUPACN-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
SMILESCc1ccccc1-c1ccccc1-c1ccccc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)cc1
InChIInChI=1S/C55H39N/c1-38-17-5-6-20-43(38)45-22-9-10-24-47(45)46-23-8-7-21-44(46)39-31-33-41(34-32-39)56(40-18-3-2-4-19-40)42-35-36-54-52-29-14-13-27-50(52)48-25-11-12-26-49(48)51-28-15-16-30-53(51)55(54)37-42/h2-37H,1H3/b50-48-,51-49-,54-52-,55-53-
InChIKeyHTNWBDNQWWYLEL-GTEGZTGRSA-N
MW713.92 g/mol
LogP15.45
Rot. Bonds6

About N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine

N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine (PubChem CID 137232562) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine.

Molecular Properties

Compound NameN-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
PubChem CID137232562
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
SMILESCc1ccccc1-c1ccccc1-c1ccccc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)cc1
InChIInChI=1S/C55H39N/c1-38-17-5-6-20-43(38)45-22-9-10-24-47(45)46-23-8-7-21-44(46)39-31-33-41(34-32-39)56(40-18-3-2-4-19-40)42-35-36-54-52-29-14-13-27-50(52)48-25-11-12-26-49(48)51-28-15-16-30-53(51)55(54)37-42/h2-37H,1H3/b50-48-,51-49-,54-52-,55-53-
InChIKeyHTNWBDNQWWYLEL-GTEGZTGRSA-N
XLogP15.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144907542
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)-2-phenylphenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 20758364
N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene
CID 144907562
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2,3-diphenylphenyl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline;N-[4-[2-(2-methylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 158908130
N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine?
The IUPAC name of N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine (CID 137232562) is N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine.
What is the SMILES notation for N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine?
The canonical SMILES for N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine is Cc1ccccc1-c1ccccc1-c1ccccc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)cc1.
What is the InChIKey of N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine?
The InChIKey is HTNWBDNQWWYLEL-GTEGZTGRSA-N. The full InChI is InChI=1S/C55H39N/c1-38-17-5-6-20-43(38)45-22-9-10-24-47(45)46-23-8-7-21-44(46)39-31-33-41(34-32-39)56(40-18-3-2-4-19-40)42-35-36-54-52-29-14-13-27-50(52)48-25-11-12-26-49(48)51-28-15-16-30-53(51)55(54)37-42/h2-37H,1H3/b50-48-,51-49-,54-52-,55-53-.
What are the key properties of N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine?
N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine has a molecular weight of 713.92 g/mol, XLogP of 15.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine is sourced from PubChem (CID 137232562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).