4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol

C24H19ClN2O — CID 91359993

IUPAC4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol
SMILESOCCC=Cc1ccc2c(c1)[nH]c1cc(-c3ccccc3Cl)c3c[nH]cc3c12
InChIInChI=1S/C24H19ClN2O/c25-21-7-2-1-6-16(21)18-12-23-24(20-14-26-13-19(18)20)17-9-8-15(5-3-4-10-28)11-22(17)27-23/h1-3,5-9,11-14,26-28H,4,10H2
InChIKeyATOMVWGQPAZXBP-UHFFFAOYSA-N
MW386.88 g/mol
LogP6.52
Rot. Bonds4

About 4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol

4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol (PubChem CID 91359993) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol
PubChem CID91359993
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol
SMILESOCCC=Cc1ccc2c(c1)[nH]c1cc(-c3ccccc3Cl)c3c[nH]cc3c12
InChIInChI=1S/C24H19ClN2O/c25-21-7-2-1-6-16(21)18-12-23-24(20-14-26-13-19(18)20)17-9-8-15(5-3-4-10-28)11-22(17)27-23/h1-3,5-9,11-14,26-28H,4,10H2
InChIKeyATOMVWGQPAZXBP-UHFFFAOYSA-N
XLogP6.52
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 56.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol?
The IUPAC name of 4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol (CID 91359993) is 4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol.
What is the SMILES notation for 4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol?
The canonical SMILES for 4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol is OCCC=Cc1ccc2c(c1)[nH]c1cc(-c3ccccc3Cl)c3c[nH]cc3c12.
What is the InChIKey of 4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol?
The InChIKey is ATOMVWGQPAZXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O/c25-21-7-2-1-6-16(21)18-12-23-24(20-14-26-13-19(18)20)17-9-8-15(5-3-4-10-28)11-22(17)27-23/h1-3,5-9,11-14,26-28H,4,10H2.
What are the key properties of 4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol?
4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol has a molecular weight of 386.88 g/mol, XLogP of 6.52, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)-2,6-dihydropyrrolo[3,4-g]carbazol-8-yl]but-3-en-1-ol is sourced from PubChem (CID 91359993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).