2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one

C45H29NO3 — CID 71101503

IUPAC2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one
SMILESO=C1C(c2ccc(N(c3ccc(C4=Cc5ccccc5C4=O)cc3)c3ccc(C4=Cc5ccccc5C4O)cc3)cc2)=Cc2ccccc21
InChIInChI=1S/C45H29NO3/c47-43-37-10-4-1-7-31(37)25-40(43)28-13-19-34(20-14-28)46(35-21-15-29(16-22-35)41-26-32-8-2-5-11-38(32)44(41)48)36-23-17-30(18-24-36)42-27-33-9-3-6-12-39(33)45(42)49/h1-27,43,47H
InChIKeyCNLGNJMYLSGCGD-UHFFFAOYSA-N
MW631.73 g/mol
LogP10.22
Rot. Bonds6

About 2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one

2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one (PubChem CID 71101503) has the molecular formula C45H29NO3 and a molecular weight of 631.73 g/mol. Its IUPAC name is 2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one.

Molecular Properties

Compound Name2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one
PubChem CID71101503
Molecular FormulaC45H29NO3
Molecular Weight631.73 g/mol
Exact Mass631.21
IUPAC Name2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one
SMILESO=C1C(c2ccc(N(c3ccc(C4=Cc5ccccc5C4=O)cc3)c3ccc(C4=Cc5ccccc5C4O)cc3)cc2)=Cc2ccccc21
InChIInChI=1S/C45H29NO3/c47-43-37-10-4-1-7-31(37)25-40(43)28-13-19-34(20-14-28)46(35-21-15-29(16-22-35)41-26-32-8-2-5-11-38(32)44(41)48)36-23-17-30(18-24-36)42-27-33-9-3-6-12-39(33)45(42)49/h1-27,43,47H
InChIKeyCNLGNJMYLSGCGD-UHFFFAOYSA-N
XLogP10.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.73
LogP ≤ 510.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenylinden-1-one
CID 10878305
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CID 141247333
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
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1-[4-(N-phenylanilino)phenyl]anthracene-9,10-dione
CID 155920076
CID 102466561
CID 102466561
4-bromo-2,3-dichlorofluoren-1-one
CID 70377627
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
1-[2-[4-[4-(2-acetylphenyl)-N-[4-(2-acetylphenyl)phenyl]anilino]phenyl]phenyl]ethanone
CID 122435887
trimethyl-(2-phenyl-1H-inden-1-yl)silane
CID 91802110
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one?
The IUPAC name of 2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one (CID 71101503) is 2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one.
What is the SMILES notation for 2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one?
The canonical SMILES for 2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one is O=C1C(c2ccc(N(c3ccc(C4=Cc5ccccc5C4=O)cc3)c3ccc(C4=Cc5ccccc5C4O)cc3)cc2)=Cc2ccccc21.
What is the InChIKey of 2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one?
The InChIKey is CNLGNJMYLSGCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NO3/c47-43-37-10-4-1-7-31(37)25-40(43)28-13-19-34(20-14-28)46(35-21-15-29(16-22-35)41-26-32-8-2-5-11-38(32)44(41)48)36-23-17-30(18-24-36)42-27-33-9-3-6-12-39(33)45(42)49/h1-27,43,47H.
What are the key properties of 2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one?
2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one has a molecular weight of 631.73 g/mol, XLogP of 10.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-hydroxy-1H-inden-2-yl)-N-[4-(1-oxoinden-2-yl)phenyl]anilino]phenyl]inden-1-one is sourced from PubChem (CID 71101503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).