2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol

C40H40N2O — CID 163785292

IUPAC2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol
SMILESCCCCCC(C)(C)C(C)(O)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H40N2O/c1-5-6-15-24-39(2,3)40(4,43)28-25-29(41-35-20-11-7-16-31(35)32-17-8-12-21-36(32)41)27-30(26-28)42-37-22-13-9-18-33(37)34-19-10-14-23-38(34)42/h7-14,16-23,25-27,43H,5-6,15,24H2,1-4H3
InChIKeyMSACXYSPIAPECZ-UHFFFAOYSA-N
MW564.77 g/mol
LogP10.69
Rot. Bonds8

About 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol

2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol (PubChem CID 163785292) has the molecular formula C40H40N2O and a molecular weight of 564.77 g/mol. Its IUPAC name is 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol.

Molecular Properties

Compound Name2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol
PubChem CID163785292
Molecular FormulaC40H40N2O
Molecular Weight564.77 g/mol
Exact Mass564.31
IUPAC Name2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol
SMILESCCCCCC(C)(C)C(C)(O)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H40N2O/c1-5-6-15-24-39(2,3)40(4,43)28-25-29(41-35-20-11-7-16-31(35)32-17-8-12-21-36(32)41)27-30(26-28)42-37-22-13-9-18-33(37)34-19-10-14-23-38(34)42/h7-14,16-23,25-27,43H,5-6,15,24H2,1-4H3
InChIKeyMSACXYSPIAPECZ-UHFFFAOYSA-N
XLogP10.69
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 510.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-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-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
4-carbazol-9-yl-N-pentylaniline
CID 66968875
N,9-diphenyl-N-[4-[3-[4-(N-phenylanilino)phenyl]octan-3-yl]phenyl]carbazol-2-amine
CID 168810468
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
phenyl-bis(9-phenylcarbazol-3-yl)methanol
CID 15404297
2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol
CID 176816143
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane
CID 158760792
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
9-[3-carbazol-9-yl-5-[4-(2-ethyl-3,3-dimethylpentyl)phenyl]phenyl]carbazole
CID 148851607
1-(9-phenylcarbazol-3-yl)pentan-1-one
CID 140927753

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol?
The IUPAC name of 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol (CID 163785292) is 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol.
What is the SMILES notation for 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol?
The canonical SMILES for 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol is CCCCCC(C)(C)C(C)(O)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol?
The InChIKey is MSACXYSPIAPECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N2O/c1-5-6-15-24-39(2,3)40(4,43)28-25-29(41-35-20-11-7-16-31(35)32-17-8-12-21-36(32)41)27-30(26-28)42-37-22-13-9-18-33(37)34-19-10-14-23-38(34)42/h7-14,16-23,25-27,43H,5-6,15,24H2,1-4H3.
What are the key properties of 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol?
2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol has a molecular weight of 564.77 g/mol, XLogP of 10.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol is sourced from PubChem (CID 163785292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).