2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol

C26H26N2O — CID 139831884

IUPAC2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol
SMILESNc1ccc(C2=CCC(N)(c3ccc(-c4ccccc4CCO)cc3)C=C2)cc1
InChIInChI=1S/C26H26N2O/c27-24-11-7-19(8-12-24)20-13-16-26(28,17-14-20)23-9-5-22(6-10-23)25-4-2-1-3-21(25)15-18-29/h1-14,16,29H,15,17-18,27-28H2
InChIKeyQDMMYVHKCLNFPU-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.67
Rot. Bonds5

About 2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol

2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol (PubChem CID 139831884) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol
PubChem CID139831884
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol
SMILESNc1ccc(C2=CCC(N)(c3ccc(-c4ccccc4CCO)cc3)C=C2)cc1
InChIInChI=1S/C26H26N2O/c27-24-11-7-19(8-12-24)20-13-16-26(28,17-14-20)23-9-5-22(6-10-23)25-4-2-1-3-21(25)15-18-29/h1-14,16,29H,15,17-18,27-28H2
InChIKeyQDMMYVHKCLNFPU-UHFFFAOYSA-N
XLogP4.67
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline
CID 97303996
4-[2-(2-hydroxyethyl)phenyl]-1-sulfamoylcyclohexa-2,4-diene-1-sulfonic acid
CID 174671293
4-[4-amino-4-(4-carboxyphenyl)cyclohexa-1,5-dien-1-yl]benzoic acid
CID 141457980
4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline
CID 70010989
4-(4-amino-4-phenoxycyclohexa-1,5-dien-1-yl)aniline
CID 152565245
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline
CID 152526557
2-(4,4-diaminocyclohexa-1,5-dien-1-yl)phenol
CID 174821956
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline;hydrochloride
CID 172857422
[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
CID 68743501
4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine
CID 174870617
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
CID 170991611
4-[2-(2-hydroxyethyl)phenyl]benzoic acid
CID 175206383

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol?
The IUPAC name of 2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol (CID 139831884) is 2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol?
The canonical SMILES for 2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol is Nc1ccc(C2=CCC(N)(c3ccc(-c4ccccc4CCO)cc3)C=C2)cc1.
What is the InChIKey of 2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol?
The InChIKey is QDMMYVHKCLNFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c27-24-11-7-19(8-12-24)20-13-16-26(28,17-14-20)23-9-5-22(6-10-23)25-4-2-1-3-21(25)15-18-29/h1-14,16,29H,15,17-18,27-28H2.
What are the key properties of 2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol?
2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol has a molecular weight of 382.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol is sourced from PubChem (CID 139831884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).