9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol

C44H42N2O — CID 24865874

IUPAC9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol
SMILESC=CCn1cc(-c2c(-c3c(C)cc(C)cc3C)c(-c3c(C)cc(C)cc3C)c(O)c3c4ccccc4n(CC=C)c23)c2ccccc21
InChIInChI=1S/C44H42N2O/c1-9-19-45-25-34(32-15-11-13-17-35(32)45)39-41(37-28(5)21-26(3)22-29(37)6)42(38-30(7)23-27(4)24-31(38)8)44(47)40-33-16-12-14-18-36(33)46(20-10-2)43(39)40/h9-18,21-25,47H,1-2,19-20H2,3-8H3
InChIKeyWQWLDADHPLFCAV-UHFFFAOYSA-N
MW614.83 g/mol
LogP11.68
Rot. Bonds7

About 9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol

9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol (PubChem CID 24865874) has the molecular formula C44H42N2O and a molecular weight of 614.83 g/mol. Its IUPAC name is 9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol.

Molecular Properties

Compound Name9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol
PubChem CID24865874
Molecular FormulaC44H42N2O
Molecular Weight614.83 g/mol
Exact Mass614.33
IUPAC Name9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol
SMILESC=CCn1cc(-c2c(-c3c(C)cc(C)cc3C)c(-c3c(C)cc(C)cc3C)c(O)c3c4ccccc4n(CC=C)c23)c2ccccc21
InChIInChI=1S/C44H42N2O/c1-9-19-45-25-34(32-15-11-13-17-35(32)45)39-41(37-28(5)21-26(3)22-29(37)6)42(38-30(7)23-27(4)24-31(38)8)44(47)40-33-16-12-14-18-36(33)46(20-10-2)43(39)40/h9-18,21-25,47H,1-2,19-20H2,3-8H3
InChIKeyWQWLDADHPLFCAV-UHFFFAOYSA-N
XLogP11.68
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.83
LogP ≤ 511.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol?
The IUPAC name of 9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol (CID 24865874) is 9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol.
What is the SMILES notation for 9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol?
The canonical SMILES for 9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol is C=CCn1cc(-c2c(-c3c(C)cc(C)cc3C)c(-c3c(C)cc(C)cc3C)c(O)c3c4ccccc4n(CC=C)c23)c2ccccc21.
What is the InChIKey of 9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol?
The InChIKey is WQWLDADHPLFCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2O/c1-9-19-45-25-34(32-15-11-13-17-35(32)45)39-41(37-28(5)21-26(3)22-29(37)6)42(38-30(7)23-27(4)24-31(38)8)44(47)40-33-16-12-14-18-36(33)46(20-10-2)43(39)40/h9-18,21-25,47H,1-2,19-20H2,3-8H3.
What are the key properties of 9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol?
9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol has a molecular weight of 614.83 g/mol, XLogP of 11.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enyl-1-(1-prop-2-enylindol-3-yl)-2,3-bis(2,4,6-trimethylphenyl)carbazol-4-ol is sourced from PubChem (CID 24865874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).