(1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one

C30H21NO2 — CID 162399556

IUPAC(1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one
SMILESO=C1Nc2ccc3ccccc3c2[C@@]1(c1ccccc1)c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C30H21NO2/c32-27-18-16-22(20-9-3-1-4-10-20)19-25(27)30(23-12-5-2-6-13-23)28-24-14-8-7-11-21(24)15-17-26(28)31-29(30)33/h1-19,32H,(H,31,33)/t30-/m1/s1
InChIKeyZZNFWQWXNCSPBF-SSEXGKCCSA-N
MW427.50 g/mol
LogP6.50
Rot. Bonds3

About (1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one

(1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one (PubChem CID 162399556) has the molecular formula C30H21NO2 and a molecular weight of 427.50 g/mol. Its IUPAC name is (1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one.

Molecular Properties

Compound Name(1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one
PubChem CID162399556
Molecular FormulaC30H21NO2
Molecular Weight427.50 g/mol
Exact Mass427.16
IUPAC Name(1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one
SMILESO=C1Nc2ccc3ccccc3c2[C@@]1(c1ccccc1)c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C30H21NO2/c32-27-18-16-22(20-9-3-1-4-10-20)19-25(27)30(23-12-5-2-6-13-23)28-24-14-8-7-11-21(24)15-17-26(28)31-29(30)33/h1-19,32H,(H,31,33)/t30-/m1/s1
InChIKeyZZNFWQWXNCSPBF-SSEXGKCCSA-N
XLogP6.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one?
The IUPAC name of (1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one (CID 162399556) is (1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one.
What is the SMILES notation for (1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one?
The canonical SMILES for (1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one is O=C1Nc2ccc3ccccc3c2[C@@]1(c1ccccc1)c1cc(-c2ccccc2)ccc1O.
What is the InChIKey of (1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one?
The InChIKey is ZZNFWQWXNCSPBF-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H21NO2/c32-27-18-16-22(20-9-3-1-4-10-20)19-25(27)30(23-12-5-2-6-13-23)28-24-14-8-7-11-21(24)15-17-26(28)31-29(30)33/h1-19,32H,(H,31,33)/t30-/m1/s1.
What are the key properties of (1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one?
(1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one has a molecular weight of 427.50 g/mol, XLogP of 6.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-hydroxy-5-phenylphenyl)-1-phenyl-3H-benzo[e]indol-2-one is sourced from PubChem (CID 162399556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).