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

C50H31N3O — CID 165168644

IUPAC2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4cc(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)ccc4oc32)cc1
InChIInChI=1S/C50H31N3O/c1-2-12-34(13-3-1)53-46-21-11-7-17-40(46)49-42-30-33(24-29-48(42)54-50(49)53)32-22-25-35(26-23-32)51-45-20-10-6-16-39(45)41-31-36(27-28-47(41)51)52-43-18-8-4-14-37(43)38-15-5-9-19-44(38)52/h1-31H
InChIKeyLCDBIRWETLSWTQ-UHFFFAOYSA-N
MW689.82 g/mol
LogP13.39
Rot. Bonds4

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

2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165168644) has the molecular formula C50H31N3O and a molecular weight of 689.82 g/mol. Its IUPAC name is 2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165168644
Molecular FormulaC50H31N3O
Molecular Weight689.82 g/mol
Exact Mass689.25
IUPAC Name2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4cc(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)ccc4oc32)cc1
InChIInChI=1S/C50H31N3O/c1-2-12-34(13-3-1)53-46-21-11-7-17-40(46)49-42-30-33(24-29-48(42)54-50(49)53)32-22-25-35(26-23-32)51-45-20-10-6-16-39(45)41-31-36(27-28-47(41)51)52-43-18-8-4-14-37(43)38-15-5-9-19-44(38)52/h1-31H
InChIKeyLCDBIRWETLSWTQ-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-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
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-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 167587667
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
2-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168921
3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169158
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168646
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165168644) is 2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4cc(-c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)ccc4oc32)cc1.
What is the InChIKey of 2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is LCDBIRWETLSWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O/c1-2-12-34(13-3-1)53-46-21-11-7-17-40(46)49-42-30-33(24-29-48(42)54-50(49)53)32-22-25-35(26-23-32)51-45-20-10-6-16-39(45)41-31-36(27-28-47(41)51)52-43-18-8-4-14-37(43)38-15-5-9-19-44(38)52/h1-31H.
What are the key properties of 2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-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 2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).