3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C44H28N2O — CID 70659036

IUPAC3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc6ccccc6o5)cc4)ccc32)cc1
InChIInChI=1S/C44H28N2O/c1-2-11-33(12-3-1)45-39-15-7-5-13-35(39)37-26-30(20-24-41(37)45)31-21-25-42-38(27-31)36-14-6-8-16-40(36)46(42)34-22-18-29(19-23-34)44-28-32-10-4-9-17-43(32)47-44/h1-28H
InChIKeyYJHDETILQKSJTL-UHFFFAOYSA-N
MW600.72 g/mol
LogP11.96
Rot. Bonds4

About 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 70659036) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID70659036
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc6ccccc6o5)cc4)ccc32)cc1
InChIInChI=1S/C44H28N2O/c1-2-11-33(12-3-1)45-39-15-7-5-13-35(39)37-26-30(20-24-41(37)45)31-21-25-42-38(27-31)36-14-6-8-16-40(36)46(42)34-22-18-29(19-23-34)44-28-32-10-4-9-17-43(32)47-44/h1-28H
InChIKeyYJHDETILQKSJTL-UHFFFAOYSA-N
XLogP11.96
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole 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-[4-[5-[4-(1-benzofuran-2-yl)phenyl]oxolan-2-yl]phenyl]-9-phenylcarbazole
CID 143850973
3-[9-[3-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(1-benzofuran-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157337313
3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 146183694
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146183239
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 70659036) is 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc6ccccc6o5)cc4)ccc32)cc1.
What is the InChIKey of 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is YJHDETILQKSJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-2-11-33(12-3-1)45-39-15-7-5-13-35(39)37-26-30(20-24-41(37)45)31-21-25-42-38(27-31)36-14-6-8-16-40(36)46(42)34-22-18-29(19-23-34)44-28-32-10-4-9-17-43(32)47-44/h1-28H.
What are the key properties of 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 600.72 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 70659036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).