10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C45H26N4O — CID 163524255

IUPAC10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1cncc(-c2cc(-c3cccnc3)nc(-c3ccc4oc5ccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)cc5c4c3)c2)c1
InChIInChI=1S/C45H26N4O/c1-3-11-41-33(9-1)37-21-31(22-38-34-10-2-4-12-42(34)49(41)45(37)38)27-13-15-43-35(19-27)36-20-28(14-16-44(36)50-43)39-23-32(29-7-5-17-46-25-29)24-40(48-39)30-8-6-18-47-26-30/h1-26H
InChIKeyDNJJNSRRRAHFET-UHFFFAOYSA-N
MW638.73 g/mol
LogP11.59
Rot. Bonds4

About 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 163524255) has the molecular formula C45H26N4O and a molecular weight of 638.73 g/mol. Its IUPAC name is 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID163524255
Molecular FormulaC45H26N4O
Molecular Weight638.73 g/mol
Exact Mass638.21
IUPAC Name10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1cncc(-c2cc(-c3cccnc3)nc(-c3ccc4oc5ccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)cc5c4c3)c2)c1
InChIInChI=1S/C45H26N4O/c1-3-11-41-33(9-1)37-21-31(22-38-34-10-2-4-12-42(34)49(41)45(37)38)27-13-15-43-35(19-27)36-20-28(14-16-44(36)50-43)39-23-32(29-7-5-17-46-25-29)24-40(48-39)30-8-6-18-47-26-30/h1-26H
InChIKeyDNJJNSRRRAHFET-UHFFFAOYSA-N
XLogP11.59
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.73
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
CID 163439035
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
2-[3-[3-dibenzofuran-2-yl-5-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]phenyl]-6-pyridin-3-ylpyridine;2-[3-[3-dibenzofuran-2-yl-5-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]phenyl]-6-pyridin-4-ylpyridine;5-[6-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]pyrimidine
CID 165060977
4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262345
5-(4-pyridin-3-ylphenyl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129127949
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 150536017
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391
4-[3,5-bis(naphtho[2,3-b][1]benzofuran-2-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130263153
10-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 149382525
4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262931
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 171583291

Frequently Asked Questions

What is the IUPAC name of 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 163524255) is 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1cncc(-c2cc(-c3cccnc3)nc(-c3ccc4oc5ccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)cc5c4c3)c2)c1.
What is the InChIKey of 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is DNJJNSRRRAHFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O/c1-3-11-41-33(9-1)37-21-31(22-38-34-10-2-4-12-42(34)49(41)45(37)38)27-13-15-43-35(19-27)36-20-28(14-16-44(36)50-43)39-23-32(29-7-5-17-46-25-29)24-40(48-39)30-8-6-18-47-26-30/h1-26H.
What are the key properties of 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 638.73 g/mol, XLogP of 11.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-(4,6-dipyridin-3-yl-2-pyridinyl)dibenzofuran-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 163524255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).