3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol

C42H34N2O2 — CID 149250478

IUPAC3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol
SMILESOc1cccc(N(c2ccccc2)c2ccc(C3(N(c4ccccc4)c4cccc(O)c4)C=CC(c4ccccc4)=CC3)cc2)c1
InChIInChI=1S/C42H34N2O2/c45-40-20-10-18-38(30-40)43(35-14-6-2-7-15-35)36-24-22-34(23-25-36)42(28-26-33(27-29-42)32-12-4-1-5-13-32)44(37-16-8-3-9-17-37)39-19-11-21-41(46)31-39/h1-28,30-31,45-46H,29H2
InChIKeyNUPWKPHMFBDDFY-UHFFFAOYSA-N
MW598.75 g/mol
LogP10.64
Rot. Bonds8

About 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol

3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol (PubChem CID 149250478) has the molecular formula C42H34N2O2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol.

Molecular Properties

Compound Name3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol
PubChem CID149250478
Molecular FormulaC42H34N2O2
Molecular Weight598.75 g/mol
Exact Mass598.26
IUPAC Name3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol
SMILESOc1cccc(N(c2ccccc2)c2ccc(C3(N(c4ccccc4)c4cccc(O)c4)C=CC(c4ccccc4)=CC3)cc2)c1
InChIInChI=1S/C42H34N2O2/c45-40-20-10-18-38(30-40)43(35-14-6-2-7-15-35)36-24-22-34(23-25-36)42(28-26-33(27-29-42)32-12-4-1-5-13-32)44(37-16-8-3-9-17-37)39-19-11-21-41(46)31-39/h1-28,30-31,45-46H,29H2
InChIKeyNUPWKPHMFBDDFY-UHFFFAOYSA-N
XLogP10.64
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 510.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol with MolForge

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Related Compounds

N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 156696923
N-[4-[4-(4-butyl-N-(3-methylphenyl)anilino)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-N-(4-butylphenyl)-3-methylaniline
CID 66624935
N-[4-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-1-phenylcyclohexa-2,4-dien-1-yl]-3-methyl-N-(3-methylphenyl)aniline
CID 67527922
4-butyl-N-[4-[4-(4-butyl-N-(4-propan-2-ylphenyl)anilino)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline
CID 66624944
1-N,1-N'-bis(3-methylphenyl)-1-N,1-N',4-triphenylcyclohexa-2,4-diene-1,1-diamine
CID 66775610
3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol
CID 66649452
1-N,1-N'-bis(4-methylphenyl)-1-N,1-N',4-triphenylcyclohexa-2,4-diene-1,1-diamine
CID 66967892
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-phenylphenyl)-3-[9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]aniline
CID 145084846
ethane;3-(N-(4-methylphenyl)anilino)phenol
CID 144899078
1-N,3-N-bis(4-tert-butylphenyl)-3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 123682396
3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;thiolane 1,1-dioxide
CID 66847894
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770

Frequently Asked Questions

What is the IUPAC name of 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol?
The IUPAC name of 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol (CID 149250478) is 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol.
What is the SMILES notation for 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol?
The canonical SMILES for 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol is Oc1cccc(N(c2ccccc2)c2ccc(C3(N(c4ccccc4)c4cccc(O)c4)C=CC(c4ccccc4)=CC3)cc2)c1.
What is the InChIKey of 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol?
The InChIKey is NUPWKPHMFBDDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2O2/c45-40-20-10-18-38(30-40)43(35-14-6-2-7-15-35)36-24-22-34(23-25-36)42(28-26-33(27-29-42)32-12-4-1-5-13-32)44(37-16-8-3-9-17-37)39-19-11-21-41(46)31-39/h1-28,30-31,45-46H,29H2.
What are the key properties of 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol?
3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol has a molecular weight of 598.75 g/mol, XLogP of 10.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol is sourced from PubChem (CID 149250478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).