4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol

C27H23NO — CID 154706857

IUPAC4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol
SMILESCN1c2ccccc2C2(C)CC(c3ccccc3)=C(C#Cc3ccccc3)C12O
InChIInChI=1S/C27H23NO/c1-26-19-22(21-13-7-4-8-14-21)23(18-17-20-11-5-3-6-12-20)27(26,29)28(2)25-16-10-9-15-24(25)26/h3-16,29H,19H2,1-2H3
InChIKeyVHQVUSXHGNISOS-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.99
Rot. Bonds1

About 4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol

4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol (PubChem CID 154706857) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol.

Molecular Properties

Compound Name4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol
PubChem CID154706857
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol
SMILESCN1c2ccccc2C2(C)CC(c3ccccc3)=C(C#Cc3ccccc3)C12O
InChIInChI=1S/C27H23NO/c1-26-19-22(21-13-7-4-8-14-21)23(18-17-20-11-5-3-6-12-20)27(26,29)28(2)25-16-10-9-15-24(25)26/h3-16,29H,19H2,1-2H3
InChIKeyVHQVUSXHGNISOS-UHFFFAOYSA-N
XLogP4.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4bH-indeno[1,2-b]indol-10-ol
CID 71718245
7-fluoro-4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol
CID 154706851
(3-methyl-1-phenyl-2H-indol-3-yl)methanol
CID 101584772
(3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol
CID 134947117
2-[2-(Dimethylamino)phenyl]-1,1-diphenylethanol
CID 269838
2-[2-[2-(2,3-Difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol
CID 123723803
2-[(E)-2-[(3E)-2-(2,3-difluorophenyl)-3-[(2E)-2-(3,3-dimethyl-1-propyl-6,7-dihydroindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol
CID 145550412
2-[(E)-2-[(3E)-2-(2,3-difluorophenyl)-3-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol
CID 145550421
(1e,3z)-4-Hydroxy-4-phenyl-1-(1,3,3-trimethyl-2,3-dihydro-1h-indol-2-ylidene)but-3-en-2-one
CID 129757118
3-(N-methylanilino)-1,1-diphenylprop-2-yn-1-ol
CID 134877327
6-chloro-4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol
CID 154706852
8b-(methoxymethyl)-4-methyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol
CID 154706855

Frequently Asked Questions

What is the IUPAC name of 4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol?
The IUPAC name of 4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol (CID 154706857) is 4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol.
What is the SMILES notation for 4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol?
The canonical SMILES for 4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol is CN1c2ccccc2C2(C)CC(c3ccccc3)=C(C#Cc3ccccc3)C12O.
What is the InChIKey of 4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol?
The InChIKey is VHQVUSXHGNISOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-26-19-22(21-13-7-4-8-14-21)23(18-17-20-11-5-3-6-12-20)27(26,29)28(2)25-16-10-9-15-24(25)26/h3-16,29H,19H2,1-2H3.
What are the key properties of 4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol?
4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol has a molecular weight of 377.49 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8b-dimethyl-2-phenyl-3-(2-phenylethynyl)-1H-cyclopenta[b]indol-3a-ol is sourced from PubChem (CID 154706857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).