(3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione

C30H22BrNO2 — CID 134962068

IUPAC(3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione
SMILESO=C1C[C@H](c2ccccc2)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)c2ccc(Br)cc21
InChIInChI=1S/C30H22BrNO2/c31-22-15-16-24-23(17-22)28(33)18-26(21-11-5-2-6-12-21)30(24)25-13-7-8-14-27(25)32(29(30)34)19-20-9-3-1-4-10-20/h1-17,26H,18-19H2/t26-,30-/m1/s1
InChIKeyFPVOEORZGIWQHI-PDDLMNHVSA-N
MW508.42 g/mol
LogP6.65
Rot. Bonds3

About (3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione

(3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione (PubChem CID 134962068) has the molecular formula C30H22BrNO2 and a molecular weight of 508.42 g/mol. Its IUPAC name is (3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione.

Molecular Properties

Compound Name(3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione
PubChem CID134962068
Molecular FormulaC30H22BrNO2
Molecular Weight508.42 g/mol
Exact Mass507.08
IUPAC Name(3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione
SMILESO=C1C[C@H](c2ccccc2)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)c2ccc(Br)cc21
InChIInChI=1S/C30H22BrNO2/c31-22-15-16-24-23(17-22)28(33)18-26(21-11-5-2-6-12-21)30(24)25-13-7-8-14-27(25)32(29(30)34)19-20-9-3-1-4-10-20/h1-17,26H,18-19H2/t26-,30-/m1/s1
InChIKeyFPVOEORZGIWQHI-PDDLMNHVSA-N
XLogP6.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.42
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione?
The IUPAC name of (3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione (CID 134962068) is (3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione.
What is the SMILES notation for (3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione?
The canonical SMILES for (3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione is O=C1C[C@H](c2ccccc2)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)c2ccc(Br)cc21.
What is the InChIKey of (3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione?
The InChIKey is FPVOEORZGIWQHI-PDDLMNHVSA-N. The full InChI is InChI=1S/C30H22BrNO2/c31-22-15-16-24-23(17-22)28(33)18-26(21-11-5-2-6-12-21)30(24)25-13-7-8-14-27(25)32(29(30)34)19-20-9-3-1-4-10-20/h1-17,26H,18-19H2/t26-,30-/m1/s1.
What are the key properties of (3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione?
(3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione has a molecular weight of 508.42 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1'-benzyl-7-bromo-3-phenylspiro[2,3-dihydronaphthalene-4,3'-indole]-1,2'-dione is sourced from PubChem (CID 134962068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).