7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one

C45H32Br3ClN2O2 — CID 167570058

IUPAC7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCN1C(=O)C2(CC2(c2ccccc2)c2ccccc2)c2cc(Br)cc(Br)c21.O=C1Nc2c(Br)cc(Cl)cc2C12CC2(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17Br2NO.C22H15BrClNO/c1-26-20-18(12-17(24)13-19(20)25)23(21(26)27)14-22(23,15-8-4-2-5-9-15)16-10-6-3-7-11-16;23-18-12-16(24)11-17-19(18)25-20(26)22(17)13-21(22,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h2-13H,14H2,1H3;1-12H,13H2,(H,25,26)
InChIKeyFUBABQODAHAYCY-UHFFFAOYSA-N
MW907.93 g/mol
LogP11.50
Rot. Bonds4

About 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one

7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 167570058) has the molecular formula C45H32Br3ClN2O2 and a molecular weight of 907.93 g/mol. Its IUPAC name is 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID167570058
Molecular FormulaC45H32Br3ClN2O2
Molecular Weight907.93 g/mol
Exact Mass903.97
IUPAC Name7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCN1C(=O)C2(CC2(c2ccccc2)c2ccccc2)c2cc(Br)cc(Br)c21.O=C1Nc2c(Br)cc(Cl)cc2C12CC2(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17Br2NO.C22H15BrClNO/c1-26-20-18(12-17(24)13-19(20)25)23(21(26)27)14-22(23,15-8-4-2-5-9-15)16-10-6-3-7-11-16;23-18-12-16(24)11-17-19(18)25-20(26)22(17)13-21(22,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h2-13H,14H2,1H3;1-12H,13H2,(H,25,26)
InChIKeyFUBABQODAHAYCY-UHFFFAOYSA-N
XLogP11.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.93
LogP ≤ 511.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one (CID 167570058) is 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one is CN1C(=O)C2(CC2(c2ccccc2)c2ccccc2)c2cc(Br)cc(Br)c21.O=C1Nc2c(Br)cc(Cl)cc2C12CC2(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is FUBABQODAHAYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Br2NO.C22H15BrClNO/c1-26-20-18(12-17(24)13-19(20)25)23(21(26)27)14-22(23,15-8-4-2-5-9-15)16-10-6-3-7-11-16;23-18-12-16(24)11-17-19(18)25-20(26)22(17)13-21(22,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h2-13H,14H2,1H3;1-12H,13H2,(H,25,26).
What are the key properties of 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one?
7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 907.93 g/mol, XLogP of 11.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2',2'-diphenylspiro[1H-indole-3,1'-cyclopropane]-2-one;5',7'-dibromo-1'-methyl-2,2-diphenylspiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 167570058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).