2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol

C27H25NO — CID 20580118

IUPAC2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
SMILESCc1ccc(N(c2ccc(CCO)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H25NO/c1-21-7-13-25(14-8-21)28(26-15-9-22(10-16-26)19-20-29)27-17-11-24(12-18-27)23-5-3-2-4-6-23/h2-18,29H,19-20H2,1H3
InChIKeyLWNRZVMFTUMUMG-UHFFFAOYSA-N
MW379.50 g/mol
LogP6.67
Rot. Bonds6

About 2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol

2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol (PubChem CID 20580118) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
PubChem CID20580118
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
SMILESCc1ccc(N(c2ccc(CCO)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H25NO/c1-21-7-13-25(14-8-21)28(26-15-9-22(10-16-26)19-20-29)27-17-11-24(12-18-27)23-5-3-2-4-6-23/h2-18,29H,19-20H2,1H3
InChIKeyLWNRZVMFTUMUMG-UHFFFAOYSA-N
XLogP6.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
CID 67358855
2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol
CID 70214853
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
2-[4-[4-(2-hydroxyethyl)-N-[4-(2-hydroxyethyl)phenyl]anilino]phenyl]ethanol
CID 20580135
2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol
CID 54265390
2-[3-(N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580073
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol?
The IUPAC name of 2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol (CID 20580118) is 2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol?
The canonical SMILES for 2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol is Cc1ccc(N(c2ccc(CCO)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol?
The InChIKey is LWNRZVMFTUMUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-21-7-13-25(14-8-21)28(26-15-9-22(10-16-26)19-20-29)27-17-11-24(12-18-27)23-5-3-2-4-6-23/h2-18,29H,19-20H2,1H3.
What are the key properties of 2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol?
2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol has a molecular weight of 379.50 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol is sourced from PubChem (CID 20580118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).