1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol

C33H23NO2 — CID 170393359

IUPAC1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(Oc2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C33H23NO2/c1-2-33(35,25-18-22-28(23-19-25)36-27-10-4-3-5-11-27)24-16-20-26(21-17-24)34-31-14-8-6-12-29(31)30-13-7-9-15-32(30)34/h1,3-23,35H
InChIKeyDNEFHRVCLVCNTE-UHFFFAOYSA-N
MW465.55 g/mol
LogP7.45
Rot. Bonds5

About 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol

1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol (PubChem CID 170393359) has the molecular formula C33H23NO2 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol
PubChem CID170393359
Molecular FormulaC33H23NO2
Molecular Weight465.55 g/mol
Exact Mass465.17
IUPAC Name1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(Oc2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C33H23NO2/c1-2-33(35,25-18-22-28(23-19-25)36-27-10-4-3-5-11-27)24-16-20-26(21-17-24)34-31-14-8-6-12-29(31)30-13-7-9-15-32(30)34/h1,3-23,35H
InChIKeyDNEFHRVCLVCNTE-UHFFFAOYSA-N
XLogP7.45
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-tritylphenyl)carbazole
CID 162500226
2,2-bis(4-carbazol-9-ylphenyl)propanedinitrile
CID 145193476
3-[9-(3,5-diphenoxyphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118220359
phenyl-bis(9-phenylcarbazol-3-yl)methanol
CID 15404297
9-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]carbazole
CID 141209126
3-[9-(4-phenoxyphenyl)carbazol-3-yl]-9-[5-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086423
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
9-(4-methoxy-3-phenoxyphenyl)carbazole
CID 163549151
aniline;9-(4-ethynylphenyl)carbazole
CID 174583422
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol (CID 170393359) is 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol is C#CC(O)(c1ccc(Oc2ccccc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol?
The InChIKey is DNEFHRVCLVCNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO2/c1-2-33(35,25-18-22-28(23-19-25)36-27-10-4-3-5-11-27)24-16-20-26(21-17-24)34-31-14-8-6-12-29(31)30-13-7-9-15-32(30)34/h1,3-23,35H.
What are the key properties of 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol?
1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol has a molecular weight of 465.55 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbazol-9-ylphenyl)-1-(4-phenoxyphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 170393359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).