8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C36H22N4O — CID 140703732

IUPAC8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(N2c3ccccc3-n3c(-c4ccncc4)nc4cccc2c43)c1
InChIInChI=1S/C36H22N4O/c1-4-14-33-27(9-1)28-22-25(15-16-34(28)41-33)24-7-5-8-26(21-24)39-30-11-2-3-12-31(30)40-35-29(10-6-13-32(35)39)38-36(40)23-17-19-37-20-18-23/h1-22H
InChIKeyRYIFUWHIKJQARJ-UHFFFAOYSA-N
MW526.60 g/mol
LogP9.44
Rot. Bonds3

About 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 140703732) has the molecular formula C36H22N4O and a molecular weight of 526.60 g/mol. Its IUPAC name is 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

Compound Name8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
PubChem CID140703732
Molecular FormulaC36H22N4O
Molecular Weight526.60 g/mol
Exact Mass526.18
IUPAC Name8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(N2c3ccccc3-n3c(-c4ccncc4)nc4cccc2c43)c1
InChIInChI=1S/C36H22N4O/c1-4-14-33-27(9-1)28-22-25(15-16-34(28)41-33)24-7-5-8-26(21-24)39-30-11-2-3-12-31(30)40-35-29(10-6-13-32(35)39)38-36(40)23-17-19-37-20-18-23/h1-22H
InChIKeyRYIFUWHIKJQARJ-UHFFFAOYSA-N
XLogP9.44
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene with MolForge

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Related Compounds

8-phenyl-15-[4-(4-phenylphenyl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 135242455
9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 159418146
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790
8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493116
6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 126500743
15-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493132
5-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 90393936
4-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056412
2-(7-phenyldibenzofuran-2-yl)-1-(3-phenylphenyl)benzimidazole
CID 157379685
triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane
CID 140887729
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
CID 142397112

Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The IUPAC name of 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 140703732) is 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.
What is the SMILES notation for 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The canonical SMILES for 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is c1cc(-c2ccc3oc4ccccc4c3c2)cc(N2c3ccccc3-n3c(-c4ccncc4)nc4cccc2c43)c1.
What is the InChIKey of 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The InChIKey is RYIFUWHIKJQARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O/c1-4-14-33-27(9-1)28-22-25(15-16-34(28)41-33)24-7-5-8-26(21-24)39-30-11-2-3-12-31(30)40-35-29(10-6-13-32(35)39)38-36(40)23-17-19-37-20-18-23/h1-22H.
What are the key properties of 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 526.60 g/mol, XLogP of 9.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 140703732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).