3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol

C45H34N2O — CID 170138391

IUPAC3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol
SMILESCC(C)c1c(O)cccc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C45H34N2O/c1-29(2)45-43(20-11-21-44(45)48)47-40-19-9-7-17-36(40)38-28-33(23-25-42(38)47)32-22-24-41-37(27-32)35-16-6-8-18-39(35)46(41)34-15-10-14-31(26-34)30-12-4-3-5-13-30/h3-29,48H,1-2H3
InChIKeyFYJNUMRRJLWASF-UHFFFAOYSA-N
MW618.78 g/mol
LogP12.04
Rot. Bonds5

About 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol

3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol (PubChem CID 170138391) has the molecular formula C45H34N2O and a molecular weight of 618.78 g/mol. Its IUPAC name is 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol.

Molecular Properties

Compound Name3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol
PubChem CID170138391
Molecular FormulaC45H34N2O
Molecular Weight618.78 g/mol
Exact Mass618.27
IUPAC Name3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol
SMILESCC(C)c1c(O)cccc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C45H34N2O/c1-29(2)45-43(20-11-21-44(45)48)47-40-19-9-7-17-36(40)38-28-33(23-25-42(38)47)32-22-24-41-37(27-32)35-16-6-8-18-39(35)46(41)34-15-10-14-31(26-34)30-12-4-3-5-13-30/h3-29,48H,1-2H3
InChIKeyFYJNUMRRJLWASF-UHFFFAOYSA-N
XLogP12.04
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 512.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol 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

3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 160721825
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590420
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol?
The IUPAC name of 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol (CID 170138391) is 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol.
What is the SMILES notation for 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol?
The canonical SMILES for 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol is CC(C)c1c(O)cccc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)ccc21.
What is the InChIKey of 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol?
The InChIKey is FYJNUMRRJLWASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2O/c1-29(2)45-43(20-11-21-44(45)48)47-40-19-9-7-17-36(40)38-28-33(23-25-42(38)47)32-22-24-41-37(27-32)35-16-6-8-18-39(35)46(41)34-15-10-14-31(26-34)30-12-4-3-5-13-30/h3-29,48H,1-2H3.
What are the key properties of 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol?
3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol has a molecular weight of 618.78 g/mol, XLogP of 12.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-propan-2-ylphenol is sourced from PubChem (CID 170138391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).