3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one

C31H27NO2 — CID 141474200

IUPAC3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
SMILESO=C1C(c2cc3c(cc2O)CCCC3)c2ccccc2N1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C31H27NO2/c33-29-19-23-13-5-4-12-22(23)18-27(29)30-26-16-8-9-17-28(26)32(31(30)34)20-24-14-6-7-15-25(24)21-10-2-1-3-11-21/h1-3,6-11,14-19,30,33H,4-5,12-13,20H2
InChIKeyKMNKUUNONVMFRH-UHFFFAOYSA-N
MW445.56 g/mol
LogP6.62
Rot. Bonds4

About 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one

3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one (PubChem CID 141474200) has the molecular formula C31H27NO2 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
PubChem CID141474200
Molecular FormulaC31H27NO2
Molecular Weight445.56 g/mol
Exact Mass445.20
IUPAC Name3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
SMILESO=C1C(c2cc3c(cc2O)CCCC3)c2ccccc2N1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C31H27NO2/c33-29-19-23-13-5-4-12-22(23)18-27(29)30-26-16-8-9-17-28(26)32(31(30)34)20-24-14-6-7-15-25(24)21-10-2-1-3-11-21/h1-3,6-11,14-19,30,33H,4-5,12-13,20H2
InChIKeyKMNKUUNONVMFRH-UHFFFAOYSA-N
XLogP6.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one (CID 141474200) is 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one is O=C1C(c2cc3c(cc2O)CCCC3)c2ccccc2N1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one?
The InChIKey is KMNKUUNONVMFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO2/c33-29-19-23-13-5-4-12-22(23)18-27(29)30-26-16-8-9-17-28(26)32(31(30)34)20-24-14-6-7-15-25(24)21-10-2-1-3-11-21/h1-3,6-11,14-19,30,33H,4-5,12-13,20H2.
What are the key properties of 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one?
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one has a molecular weight of 445.56 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 141474200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).