1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol

C27H25NO — CID 172725867

IUPAC1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol
SMILESCC(O)(C1=CC=CC=CC1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25NO/c1-27(29,22-12-6-2-3-7-13-22)23-18-20-26(21-19-23)28(24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-12,14-21,29H,13H2,1H3
InChIKeyHDGVQBNBSYGPPR-UHFFFAOYSA-N
MW379.50 g/mol
LogP6.81
Rot. Bonds5

About 1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol

1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol (PubChem CID 172725867) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol.

Molecular Properties

Compound Name1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol
PubChem CID172725867
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol
SMILESCC(O)(C1=CC=CC=CC1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25NO/c1-27(29,22-12-6-2-3-7-13-22)23-18-20-26(21-19-23)28(24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-12,14-21,29H,13H2,1H3
InChIKeyHDGVQBNBSYGPPR-UHFFFAOYSA-N
XLogP6.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohepta-1,3,5-trien-1-yl-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 142961371
4-tert-butyl-N,N-diphenylaniline
CID 11312667
1-[6-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclohepta-1,3,5-trien-1-yl]-1-(4-methylphenyl)ethanol
CID 101049879
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline
CID 157179618
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
4-N-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59221775
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 126517232
4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[2-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]propan-2-yl]phenyl]aniline
CID 158713141
2-methyl-4-[4-(N-phenylanilino)phenyl]but-3-yn-2-ol
CID 141072177
N-cyclohepta-1,3,5-trien-1-yl-N-phenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine
CID 137469119

Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol?
The IUPAC name of 1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol (CID 172725867) is 1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol.
What is the SMILES notation for 1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol?
The canonical SMILES for 1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol is CC(O)(C1=CC=CC=CC1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol?
The InChIKey is HDGVQBNBSYGPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-27(29,22-12-6-2-3-7-13-22)23-18-20-26(21-19-23)28(24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-12,14-21,29H,13H2,1H3.
What are the key properties of 1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol?
1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol has a molecular weight of 379.50 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,5-trien-1-yl-1-[4-(N-phenylanilino)phenyl]ethanol is sourced from PubChem (CID 172725867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).