8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

C50H30N2OS — CID 165168876

IUPAC8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)cc4)ccc3c3c4ccccc4oc32)cc1
InChIInChI=1S/C50H30N2OS/c1-2-11-34(12-3-1)52-45-30-32(23-27-40(45)48-41-15-5-8-19-46(41)53-50(48)52)31-21-25-35(26-22-31)51-43-18-7-4-13-37(43)42-29-33(24-28-44(42)51)36-16-10-17-39-38-14-6-9-20-47(38)54-49(36)39/h1-30H
InChIKeyTWCUTKTYZRKYPY-UHFFFAOYSA-N
MW706.87 g/mol
LogP14.33
Rot. Bonds4

About 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165168876) has the molecular formula C50H30N2OS and a molecular weight of 706.87 g/mol. Its IUPAC name is 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165168876
Molecular FormulaC50H30N2OS
Molecular Weight706.87 g/mol
Exact Mass706.21
IUPAC Name8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)cc4)ccc3c3c4ccccc4oc32)cc1
InChIInChI=1S/C50H30N2OS/c1-2-11-34(12-3-1)52-45-30-32(23-27-40(45)48-41-15-5-8-19-46(41)53-50(48)52)31-21-25-35(26-22-31)51-43-18-7-4-13-37(43)42-29-33(24-28-44(42)51)36-16-10-17-39-38-14-6-9-20-47(38)54-49(36)39/h1-30H
InChIKeyTWCUTKTYZRKYPY-UHFFFAOYSA-N
XLogP14.33
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole 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

2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
15-(4-dibenzothiophen-4-ylphenyl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(9-phenylcarbazol-3-yl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[4-(9-phenylcarbazol-3-yl)phenyl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 158535789
2-dibenzofuran-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 165084340
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 159942407
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;2-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157382903
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165168876) is 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)cc4)ccc3c3c4ccccc4oc32)cc1.
What is the InChIKey of 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is TWCUTKTYZRKYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2OS/c1-2-11-34(12-3-1)52-45-30-32(23-27-40(45)48-41-15-5-8-19-46(41)53-50(48)52)31-21-25-35(26-22-31)51-43-18-7-4-13-37(43)42-29-33(24-28-44(42)51)36-16-10-17-39-38-14-6-9-20-47(38)54-49(36)39/h1-30H.
What are the key properties of 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 706.87 g/mol, XLogP of 14.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).