3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole

C50H31N3O — CID 165169014

IUPAC3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)oc4c5c5ccccc5n4-c4ccccc4)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
InChIInChI=1S/C50H31N3O/c1-3-13-34(14-4-1)51-46-29-32(33-24-27-42-48(30-33)54-50-49(42)41-19-9-12-22-45(41)53(50)35-15-5-2-6-16-35)23-26-39(46)40-28-25-36(31-47(40)51)52-43-20-10-7-17-37(43)38-18-8-11-21-44(38)52/h1-31H
InChIKeyGSKXCPRAGAPERA-UHFFFAOYSA-N
MW689.82 g/mol
LogP13.39
Rot. Bonds4

About 3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole

3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165169014) has the molecular formula C50H31N3O and a molecular weight of 689.82 g/mol. Its IUPAC name is 3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165169014
Molecular FormulaC50H31N3O
Molecular Weight689.82 g/mol
Exact Mass689.25
IUPAC Name3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)oc4c5c5ccccc5n4-c4ccccc4)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
InChIInChI=1S/C50H31N3O/c1-3-13-34(14-4-1)51-46-29-32(33-24-27-42-48(30-33)54-50-49(42)41-19-9-12-22-45(41)53(50)35-15-5-2-6-16-35)23-26-39(46)40-28-25-36(31-47(40)51)52-43-20-10-7-17-37(43)38-18-8-11-21-44(38)52/h1-31H
InChIKeyGSKXCPRAGAPERA-UHFFFAOYSA-N
XLogP13.39
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168729
3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169158
3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168575
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168644
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167550552
9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168773
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
8-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168702

Frequently Asked Questions

What is the IUPAC name of 3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165169014) is 3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3cc(-c4ccc5c(c4)oc4c5c5ccccc5n4-c4ccccc4)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1.
What is the InChIKey of 3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is GSKXCPRAGAPERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O/c1-3-13-34(14-4-1)51-46-29-32(33-24-27-42-48(30-33)54-50-49(42)41-19-9-12-22-45(41)53(50)35-15-5-2-6-16-35)23-26-39(46)40-28-25-36(31-47(40)51)52-43-20-10-7-17-37(43)38-18-8-11-21-44(38)52/h1-31H.
What are the key properties of 3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 689.82 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165169014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).