3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

C35H21N7O — CID 145088649

IUPAC3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
SMILESc1ccc(-c2cnn3c2n2ncc(-c4ccc5oc6ccccc6c5c4)c2n2ncc(-n4ccc5ccccc54)c23)cc1
InChIInChI=1S/C35H21N7O/c1-2-8-22(9-3-1)27-19-37-41-33(27)40-34(42-35(41)30(21-38-42)39-17-16-23-10-4-6-12-29(23)39)28(20-36-40)24-14-15-32-26(18-24)25-11-5-7-13-31(25)43-32/h1-21H
InChIKeyLAJXCHIWMMFUGS-UHFFFAOYSA-N
MW555.60 g/mol
LogP7.81
Rot. Bonds3

About 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (PubChem CID 145088649) has the molecular formula C35H21N7O and a molecular weight of 555.60 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
PubChem CID145088649
Molecular FormulaC35H21N7O
Molecular Weight555.60 g/mol
Exact Mass555.18
IUPAC Name3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
SMILESc1ccc(-c2cnn3c2n2ncc(-c4ccc5oc6ccccc6c5c4)c2n2ncc(-n4ccc5ccccc54)c23)cc1
InChIInChI=1S/C35H21N7O/c1-2-8-22(9-3-1)27-19-37-41-33(27)40-34(42-35(41)30(21-38-42)39-17-16-23-10-4-6-12-29(23)39)28(20-36-40)24-14-15-32-26(18-24)25-11-5-7-13-31(25)43-32/h1-21H
InChIKeyLAJXCHIWMMFUGS-UHFFFAOYSA-N
XLogP7.81
TPSA69.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.60
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene with MolForge

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Related Compounds

5-(1-benzofuran-5-yl)-2-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 140883161
10-[Fluoro-(3-pyrazol-1-ylphenyl)methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
CID 140953539
6-(1-Fluorodibenzofuran-4-yl)-7-phenylimidazo[4,5-c]pyridazine
CID 164824427
6-(1-Fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine
CID 164825277
2-(1-Fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine
CID 164825393
6-(7-Fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine
CID 164825399
6-(7-Fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
CID 164825609
3-[2,6-Di(propan-2-yl)phenyl]-2-[7-(4-fluorophenyl)dibenzofuran-4-yl]imidazo[4,5-d]pyridazine
CID 164825851
2-(7-Fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-d]pyridazine
CID 164826195
6-(7-Fluorodibenzofuran-4-yl)-7-phenylimidazo[4,5-c]pyridazine
CID 164826625
6-(1-Fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
CID 164827302
8-(1-Benzofuran-5-ylmethyl)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
CID 44206289

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The IUPAC name of 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (CID 145088649) is 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.
What is the SMILES notation for 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The canonical SMILES for 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is c1ccc(-c2cnn3c2n2ncc(-c4ccc5oc6ccccc6c5c4)c2n2ncc(-n4ccc5ccccc54)c23)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The InChIKey is LAJXCHIWMMFUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N7O/c1-2-8-22(9-3-1)27-19-37-41-33(27)40-34(42-35(41)30(21-38-42)39-17-16-23-10-4-6-12-29(23)39)28(20-36-40)24-14-15-32-26(18-24)25-11-5-7-13-31(25)43-32/h1-21H.
What are the key properties of 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene has a molecular weight of 555.60 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-13-indol-1-yl-8-phenyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is sourced from PubChem (CID 145088649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).