8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C46H28N4O — CID 58099718

IUPAC8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3oc4c(-c5ccccc5-n5c6ncccc6c6cccnc65)cccc4c3c2)c1
InChIInChI=1S/C46H28N4O/c1-5-20-39(49-40-21-6-2-13-31(40)32-14-3-7-22-41(32)49)30(12-1)29-24-25-43-38(28-29)35-17-9-16-34(44(35)51-43)33-15-4-8-23-42(33)50-45-36(18-10-26-47-45)37-19-11-27-48-46(37)50/h1-28H
InChIKeyMBRXKPSMNNDUKK-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.90
Rot. Bonds4

About 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58099718) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58099718
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3oc4c(-c5ccccc5-n5c6ncccc6c6cccnc65)cccc4c3c2)c1
InChIInChI=1S/C46H28N4O/c1-5-20-39(49-40-21-6-2-13-31(40)32-14-3-7-22-41(32)49)30(12-1)29-24-25-43-38(28-29)35-17-9-16-34(44(35)51-43)33-15-4-8-23-42(33)50-45-36(18-10-26-47-45)37-19-11-27-48-46(37)50/h1-28H
InChIKeyMBRXKPSMNNDUKK-UHFFFAOYSA-N
XLogP11.90
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58099718) is 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3oc4c(-c5ccccc5-n5c6ncccc6c6cccnc65)cccc4c3c2)c1.
What is the InChIKey of 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is MBRXKPSMNNDUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-5-20-39(49-40-21-6-2-13-31(40)32-14-3-7-22-41(32)49)30(12-1)29-24-25-43-38(28-29)35-17-9-16-34(44(35)51-43)33-15-4-8-23-42(33)50-45-36(18-10-26-47-45)37-19-11-27-48-46(37)50/h1-28H.
What are the key properties of 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 652.76 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[8-(2-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58099718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).