6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C60H31N7O4 — CID 58099767

IUPAC6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cc(-c2ccc3oc4c(-c5cncc6c5oc5ccncc56)cc(-n5c6ccccc6c6cc(-c7cncc8c7oc7ccncc78)ccc65)cc4c3c2)cc(-c2cncc3c2oc2ccncc23)c1
InChIInChI=1S/C60H31N7O4/c1-2-7-51-37(6-1)38-20-35(43-24-65-30-49-45-26-62-16-13-55(45)70-59(43)49)8-10-52(38)67(51)36-21-40-39-19-33(32-4-3-5-34(18-32)42-23-64-29-48-44-25-61-15-12-54(44)69-58(42)48)9-11-53(39)68-57(40)41(22-36)47-28-66-31-50-46-27-63-17-14-56(46)71-60(47)50/h1-31H
InChIKeyLHJXNHBPLZIRGA-UHFFFAOYSA-N
MW913.95 g/mol
LogP15.42
Rot. Bonds5

About 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 58099767) has the molecular formula C60H31N7O4 and a molecular weight of 913.95 g/mol. Its IUPAC name is 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID58099767
Molecular FormulaC60H31N7O4
Molecular Weight913.95 g/mol
Exact Mass913.24
IUPAC Name6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cc(-c2ccc3oc4c(-c5cncc6c5oc5ccncc56)cc(-n5c6ccccc6c6cc(-c7cncc8c7oc7ccncc78)ccc65)cc4c3c2)cc(-c2cncc3c2oc2ccncc23)c1
InChIInChI=1S/C60H31N7O4/c1-2-7-51-37(6-1)38-20-35(43-24-65-30-49-45-26-62-16-13-55(45)70-59(43)49)8-10-52(38)67(51)36-21-40-39-19-33(32-4-3-5-34(18-32)42-23-64-29-48-44-25-61-15-12-54(44)69-58(42)48)9-11-53(39)68-57(40)41(22-36)47-28-66-31-50-46-27-63-17-14-56(46)71-60(47)50/h1-31H
InChIKeyLHJXNHBPLZIRGA-UHFFFAOYSA-N
XLogP15.42
TPSA134.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500913.95
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 58099767) is 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1cc(-c2ccc3oc4c(-c5cncc6c5oc5ccncc56)cc(-n5c6ccccc6c6cc(-c7cncc8c7oc7ccncc78)ccc65)cc4c3c2)cc(-c2cncc3c2oc2ccncc23)c1.
What is the InChIKey of 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is LHJXNHBPLZIRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H31N7O4/c1-2-7-51-37(6-1)38-20-35(43-24-65-30-49-45-26-62-16-13-55(45)70-59(43)49)8-10-52(38)67(51)36-21-40-39-19-33(32-4-3-5-34(18-32)42-23-64-29-48-44-25-61-15-12-54(44)69-58(42)48)9-11-53(39)68-57(40)41(22-36)47-28-66-31-50-46-27-63-17-14-56(46)71-60(47)50/h1-31H.
What are the key properties of 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 913.95 g/mol, XLogP of 15.42, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 58099767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).