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

C50H32N2O — CID 165168862

IUPAC6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3ccc(-n4c5ccccc5c5c6ccccc6oc54)cc3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-12-33(13-4-1)37-24-28-46-43(31-37)44-32-38(34-14-5-2-6-15-34)25-29-47(44)51(46)40-17-11-16-36(30-40)35-22-26-39(27-23-35)52-45-20-9-7-18-41(45)49-42-19-8-10-21-48(42)53-50(49)52/h1-32H
InChIKeyKKOVCYVRECPDHF-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.63
Rot. Bonds5

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

6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole (PubChem CID 165168862) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
PubChem CID165168862
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3ccc(-n4c5ccccc5c5c6ccccc6oc54)cc3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-12-33(13-4-1)37-24-28-46-43(31-37)44-32-38(34-14-5-2-6-15-34)25-29-47(44)51(46)40-17-11-16-36(30-40)35-22-26-39(27-23-35)52-45-20-9-7-18-41(45)49-42-19-8-10-21-48(42)53-50(49)52/h1-32H
InChIKeyKKOVCYVRECPDHF-UHFFFAOYSA-N
XLogP13.63
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169158
9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168773
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168644
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168729
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
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-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
1-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169102
7-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168826
9-([1]benzofuro[2,3-b]indol-6-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 144751633

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole?
The IUPAC name of 6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole (CID 165168862) is 6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3ccc(-n4c5ccccc5c5c6ccccc6oc54)cc3)c2)cc1.
What is the InChIKey of 6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole?
The InChIKey is KKOVCYVRECPDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-12-33(13-4-1)37-24-28-46-43(31-37)44-32-38(34-14-5-2-6-15-34)25-29-47(44)51(46)40-17-11-16-36(30-40)35-22-26-39(27-23-35)52-45-20-9-7-18-41(45)49-42-19-8-10-21-48(42)53-50(49)52/h1-32H.
What are the key properties of 6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole?
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole has a molecular weight of 676.82 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).