7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile

C32H33ClN2 — CID 169156464

IUPAC7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile
SMILESCCc1cc(CC)c(-c2cc(Cl)c3[nH]c4cc(C#N)c5c(c4c3c2)CCC52CCCC2)c(CC)c1
InChIInChI=1S/C32H33ClN2/c1-4-19-13-20(5-2)28(21(6-3)14-19)22-15-25-29-24-9-12-32(10-7-8-11-32)30(24)23(18-34)17-27(29)35-31(25)26(33)16-22/h13-17,35H,4-12H2,1-3H3
InChIKeyKCJJKMVPPDYJNZ-UHFFFAOYSA-N
MW481.08 g/mol
LogP8.96
Rot. Bonds4

About 7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile

7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile (PubChem CID 169156464) has the molecular formula C32H33ClN2 and a molecular weight of 481.08 g/mol. Its IUPAC name is 7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile.

Molecular Properties

Compound Name7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile
PubChem CID169156464
Molecular FormulaC32H33ClN2
Molecular Weight481.08 g/mol
Exact Mass480.23
IUPAC Name7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile
SMILESCCc1cc(CC)c(-c2cc(Cl)c3[nH]c4cc(C#N)c5c(c4c3c2)CCC52CCCC2)c(CC)c1
InChIInChI=1S/C32H33ClN2/c1-4-19-13-20(5-2)28(21(6-3)14-19)22-15-25-29-24-9-12-32(10-7-8-11-32)30(24)23(18-34)17-27(29)35-31(25)26(33)16-22/h13-17,35H,4-12H2,1-3H3
InChIKeyKCJJKMVPPDYJNZ-UHFFFAOYSA-N
XLogP8.96
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.08
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile?
The IUPAC name of 7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile (CID 169156464) is 7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile.
What is the SMILES notation for 7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile?
The canonical SMILES for 7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile is CCc1cc(CC)c(-c2cc(Cl)c3[nH]c4cc(C#N)c5c(c4c3c2)CCC52CCCC2)c(CC)c1.
What is the InChIKey of 7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile?
The InChIKey is KCJJKMVPPDYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN2/c1-4-19-13-20(5-2)28(21(6-3)14-19)22-15-25-29-24-9-12-32(10-7-8-11-32)30(24)23(18-34)17-27(29)35-31(25)26(33)16-22/h13-17,35H,4-12H2,1-3H3.
What are the key properties of 7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile?
7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile has a molecular weight of 481.08 g/mol, XLogP of 8.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-(2,4,6-triethylphenyl)spiro[2,6-dihydro-1H-cyclopenta[c]carbazole-3,1'-cyclopentane]-4-carbonitrile is sourced from PubChem (CID 169156464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).