3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol

C32H28N2O2 — CID 177480673

IUPAC3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol
SMILESC=CCn1c2ccccc2c2c(O)c(-c3c(C)cc4c(c3O)c3ccccc3n4CC=C)c(C)cc21
InChIInChI=1S/C32H28N2O2/c1-5-15-33-23-13-9-7-11-21(23)29-25(33)17-19(3)27(31(29)35)28-20(4)18-26-30(32(28)36)22-12-8-10-14-24(22)34(26)16-6-2/h5-14,17-18,35-36H,1-2,15-16H2,3-4H3
InChIKeyLMGJKWYRWGXIDC-UHFFFAOYSA-N
MW472.59 g/mol
LogP7.97
Rot. Bonds5

About 3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol

3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol (PubChem CID 177480673) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol.

Molecular Properties

Compound Name3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol
PubChem CID177480673
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol
SMILESC=CCn1c2ccccc2c2c(O)c(-c3c(C)cc4c(c3O)c3ccccc3n4CC=C)c(C)cc21
InChIInChI=1S/C32H28N2O2/c1-5-15-33-23-13-9-7-11-21(23)29-25(33)17-19(3)27(31(29)35)28-20(4)18-26-30(32(28)36)22-12-8-10-14-24(22)34(26)16-6-2/h5-14,17-18,35-36H,1-2,15-16H2,3-4H3
InChIKeyLMGJKWYRWGXIDC-UHFFFAOYSA-N
XLogP7.97
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 155807298
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CID 53258041
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CID 50923194
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1,9-bis(prop-2-enyl)carbazol-2-ol
CID 59860901
[1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium
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N-(2-bromo-4-methylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682097
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092
methyl N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminocarbamodithioate
CID 1221715
5-prop-2-enyl-10H-indeno[1,2-b]indole
CID 18424932

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol?
The IUPAC name of 3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol (CID 177480673) is 3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol.
What is the SMILES notation for 3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol?
The canonical SMILES for 3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol is C=CCn1c2ccccc2c2c(O)c(-c3c(C)cc4c(c3O)c3ccccc3n4CC=C)c(C)cc21.
What is the InChIKey of 3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol?
The InChIKey is LMGJKWYRWGXIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O2/c1-5-15-33-23-13-9-7-11-21(23)29-25(33)17-19(3)27(31(29)35)28-20(4)18-26-30(32(28)36)22-12-8-10-14-24(22)34(26)16-6-2/h5-14,17-18,35-36H,1-2,15-16H2,3-4H3.
What are the key properties of 3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol?
3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol has a molecular weight of 472.59 g/mol, XLogP of 7.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-methyl-9-prop-2-enylcarbazol-3-yl)-2-methyl-9-prop-2-enylcarbazol-4-ol is sourced from PubChem (CID 177480673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).