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

C40H28N4O — CID 70906832

IUPAC8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=C(c2cccc(-n3c4ccccc4c4ccccc43)c2)CCc2oc3c(c21)C=C(n1c2ccncc2c2cnccc21)CC3
InChIInChI=1S/C40H28N4O/c1-3-10-35-29(8-1)30-9-2-4-11-36(30)43(35)27-7-5-6-25(20-27)26-12-14-39-31(21-26)32-22-28(13-15-40(32)45-39)44-37-16-18-41-23-33(37)34-24-42-19-17-38(34)44/h1-11,16-24H,12-15H2
InChIKeyJJLUQUUUXLDOLW-UHFFFAOYSA-N
MW580.69 g/mol
LogP9.71
Rot. Bonds3

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

8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 70906832) has the molecular formula C40H28N4O and a molecular weight of 580.69 g/mol. Its IUPAC name is 8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID70906832
Molecular FormulaC40H28N4O
Molecular Weight580.69 g/mol
Exact Mass580.23
IUPAC Name8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=C(c2cccc(-n3c4ccccc4c4ccccc43)c2)CCc2oc3c(c21)C=C(n1c2ccncc2c2cnccc21)CC3
InChIInChI=1S/C40H28N4O/c1-3-10-35-29(8-1)30-9-2-4-11-36(30)43(35)27-7-5-6-25(20-27)26-12-14-39-31(21-26)32-22-28(13-15-40(32)45-39)44-37-16-18-41-23-33(37)34-24-42-19-17-38(34)44/h1-11,16-24H,12-15H2
InChIKeyJJLUQUUUXLDOLW-UHFFFAOYSA-N
XLogP9.71
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-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-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 70906832) is 8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C1=C(c2cccc(-n3c4ccccc4c4ccccc43)c2)CCc2oc3c(c21)C=C(n1c2ccncc2c2cnccc21)CC3.
What is the InChIKey of 8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is JJLUQUUUXLDOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4O/c1-3-10-35-29(8-1)30-9-2-4-11-36(30)43(35)27-7-5-6-25(20-27)26-12-14-39-31(21-26)32-22-28(13-15-40(32)45-39)44-37-16-18-41-23-33(37)34-24-42-19-17-38(34)44/h1-11,16-24H,12-15H2.
What are the key properties of 8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 580.69 g/mol, XLogP of 9.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-(3-carbazol-9-ylphenyl)-3,4,6,7-tetrahydrodibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 70906832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).