3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one

C38H27NO3 — CID 137479922

IUPAC3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C1(c1cc(-c2ccccc2)ccc1O)c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C38H27NO3/c40-35-22-20-28(26-12-4-1-5-13-26)24-32(35)38(33-25-29(21-23-36(33)41)27-14-6-2-7-15-27)31-18-10-11-19-34(31)39(37(38)42)30-16-8-3-9-17-30/h1-25,40-41H
InChIKeyVFEWATAGXXSWRP-UHFFFAOYSA-N
MW545.64 g/mol
LogP8.44
Rot. Bonds5

About 3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one

3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one (PubChem CID 137479922) has the molecular formula C38H27NO3 and a molecular weight of 545.64 g/mol. Its IUPAC name is 3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one.

Molecular Properties

Compound Name3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one
PubChem CID137479922
Molecular FormulaC38H27NO3
Molecular Weight545.64 g/mol
Exact Mass545.20
IUPAC Name3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C1(c1cc(-c2ccccc2)ccc1O)c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C38H27NO3/c40-35-22-20-28(26-12-4-1-5-13-26)24-32(35)38(33-25-29(21-23-36(33)41)27-14-6-2-7-15-27)31-18-10-11-19-34(31)39(37(38)42)30-16-8-3-9-17-30/h1-25,40-41H
InChIKeyVFEWATAGXXSWRP-UHFFFAOYSA-N
XLogP8.44
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.64
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465139
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
2'-[3-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263735
2'-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,9'-fluorene];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 161230915

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one?
The IUPAC name of 3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one (CID 137479922) is 3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one.
What is the SMILES notation for 3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one?
The canonical SMILES for 3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one is O=C1N(c2ccccc2)c2ccccc2C1(c1cc(-c2ccccc2)ccc1O)c1cc(-c2ccccc2)ccc1O.
What is the InChIKey of 3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one?
The InChIKey is VFEWATAGXXSWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO3/c40-35-22-20-28(26-12-4-1-5-13-26)24-32(35)38(33-25-29(21-23-36(33)41)27-14-6-2-7-15-27)31-18-10-11-19-34(31)39(37(38)42)30-16-8-3-9-17-30/h1-25,40-41H.
What are the key properties of 3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one?
3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one has a molecular weight of 545.64 g/mol, XLogP of 8.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one is sourced from PubChem (CID 137479922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).