4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole

C54H34N2O — CID 166510001

IUPAC4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc5c6ccccc6n(-c6ccc(-c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)cc6)c45)cccc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-12-39(13-3-1)55-49-21-8-5-16-47(49)53-44(17-11-22-50(53)55)46-19-10-18-45-41-14-4-7-20-48(41)56(54(45)46)40-31-28-36(29-32-40)35-24-26-37(27-25-35)38-30-33-43-42-15-6-9-23-51(42)57-52(43)34-38/h1-34H
InChIKeyXHCJERWMWVUQTD-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole

4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole (PubChem CID 166510001) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
PubChem CID166510001
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc5c6ccccc6n(-c6ccc(-c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)cc6)c45)cccc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-12-39(13-3-1)55-49-21-8-5-16-47(49)53-44(17-11-22-50(53)55)46-19-10-18-45-41-14-4-7-20-48(41)56(54(45)46)40-31-28-36(29-32-40)35-24-26-37(27-25-35)38-30-33-43-42-15-6-9-23-51(42)57-52(43)34-38/h1-34H
InChIKeyXHCJERWMWVUQTD-UHFFFAOYSA-N
XLogP14.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-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

9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
CID 166509837
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
CID 168807681
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
2-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 162097469
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
12-[4-(4-carbazol-9-ylphenyl)phenyl]-9-phenyl-5-[9-[4-[4-(8-phenyl-[1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]carbazol-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 167270476
9-(7-dibenzofuran-3-yldibenzofuran-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285118
4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole?
The IUPAC name of 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole (CID 166510001) is 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4cccc5c6ccccc6n(-c6ccc(-c7ccc(-c8ccc9c(c8)oc8ccccc89)cc7)cc6)c45)cccc32)cc1.
What is the InChIKey of 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole?
The InChIKey is XHCJERWMWVUQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-2-12-39(13-3-1)55-49-21-8-5-16-47(49)53-44(17-11-22-50(53)55)46-19-10-18-45-41-14-4-7-20-48(41)56(54(45)46)40-31-28-36(29-32-40)35-24-26-37(27-25-35)38-30-33-43-42-15-6-9-23-51(42)57-52(43)34-38/h1-34H.
What are the key properties of 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole?
4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole has a molecular weight of 726.88 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 166510001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).