1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one

C32H32ClFN2O — CID 141497702

IUPAC1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one
SMILESCCCCN1C(=O)C2(CCC(c3ccc(Cl)cc3)c3c2n(C)c2ccccc32)c2c1ccc(F)c2CC
InChIInChI=1S/C32H32ClFN2O/c1-4-6-19-36-27-16-15-25(34)22(5-2)29(27)32(31(36)37)18-17-23(20-11-13-21(33)14-12-20)28-24-9-7-8-10-26(24)35(3)30(28)32/h7-16,23H,4-6,17-19H2,1-3H3
InChIKeyJTESHJDENPPVQA-UHFFFAOYSA-N
MW515.07 g/mol
LogP7.89
Rot. Bonds5

About 1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one

1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one (PubChem CID 141497702) has the molecular formula C32H32ClFN2O and a molecular weight of 515.07 g/mol. Its IUPAC name is 1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one
PubChem CID141497702
Molecular FormulaC32H32ClFN2O
Molecular Weight515.07 g/mol
Exact Mass514.22
IUPAC Name1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one
SMILESCCCCN1C(=O)C2(CCC(c3ccc(Cl)cc3)c3c2n(C)c2ccccc32)c2c1ccc(F)c2CC
InChIInChI=1S/C32H32ClFN2O/c1-4-6-19-36-27-16-15-25(34)22(5-2)29(27)32(31(36)37)18-17-23(20-11-13-21(33)14-12-20)28-24-9-7-8-10-26(24)35(3)30(28)32/h7-16,23H,4-6,17-19H2,1-3H3
InChIKeyJTESHJDENPPVQA-UHFFFAOYSA-N
XLogP7.89
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.07
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10091344
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CID 44535431
((3R,4S)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)(4-(1-(((1-methyl-1H-indol-2-yl)methylamino)methyl)cyclohexyl)piperazin-1-yl)methanone
CID 44442985
N-tert-butyl-2-[1-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)indol-5-yl]-2-methylpropanamide
CID 25101374
2-[[2-(4-Chlorophenyl)-1-methylindol-5-yl]methyl]isoindole-1,3-dione
CID 325743
10-Benzyl-5-methyl-2-phenyl-3a,4,5,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3-dione
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CID 373636
10-Ethyl-2,5-diphenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione
CID 373647
2-[2-[1-[(4-Chlorophenyl)methyl]indol-3-yl]ethyl]-4,7-difluoroisoindole-1,3-dione
CID 44758645
(6-Chloro-2-fluoro-3-methylphenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone
CID 11584124
(2-Chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone
CID 11605446
2-[3-[benzyl-[(4-chloro-2-fluorophenyl)methyl]carbamoyl]-3-methyl-2,4-dihydro-1H-carbazol-9-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one?
The IUPAC name of 1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one (CID 141497702) is 1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one?
The canonical SMILES for 1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one is CCCCN1C(=O)C2(CCC(c3ccc(Cl)cc3)c3c2n(C)c2ccccc32)c2c1ccc(F)c2CC.
What is the InChIKey of 1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one?
The InChIKey is JTESHJDENPPVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClFN2O/c1-4-6-19-36-27-16-15-25(34)22(5-2)29(27)32(31(36)37)18-17-23(20-11-13-21(33)14-12-20)28-24-9-7-8-10-26(24)35(3)30(28)32/h7-16,23H,4-6,17-19H2,1-3H3.
What are the key properties of 1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one?
1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one has a molecular weight of 515.07 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butyl-4-(4-chlorophenyl)-4'-ethyl-5'-fluoro-9-methylspiro[3,4-dihydro-2H-carbazole-1,3'-indole]-2'-one is sourced from PubChem (CID 141497702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).