10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

C34H19N3O — CID 164528253

IUPAC10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
SMILESc1ccc2c(c1)oc1cccc(-c3ccc(-c4cc5c6ccncc6n6c7cnccc7c(c4)c56)cc3)c12
InChIInChI=1S/C34H19N3O/c1-2-6-31-26(4-1)33-23(5-3-7-32(33)38-31)21-10-8-20(9-11-21)22-16-27-24-12-14-35-18-29(24)37-30-19-36-15-13-25(30)28(17-22)34(27)37/h1-19H
InChIKeyIHGMNVCWUZSDQH-UHFFFAOYSA-N
MW485.55 g/mol
LogP8.86
Rot. Bonds2

About 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene (PubChem CID 164528253) has the molecular formula C34H19N3O and a molecular weight of 485.55 g/mol. Its IUPAC name is 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene.

Molecular Properties

Compound Name10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
PubChem CID164528253
Molecular FormulaC34H19N3O
Molecular Weight485.55 g/mol
Exact Mass485.15
IUPAC Name10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
SMILESc1ccc2c(c1)oc1cccc(-c3ccc(-c4cc5c6ccncc6n6c7cnccc7c(c4)c56)cc3)c12
InChIInChI=1S/C34H19N3O/c1-2-6-31-26(4-1)33-23(5-3-7-32(33)38-31)21-10-8-20(9-11-21)22-16-27-24-12-14-35-18-29(24)37-30-19-36-15-13-25(30)28(17-22)34(27)37/h1-19H
InChIKeyIHGMNVCWUZSDQH-UHFFFAOYSA-N
XLogP8.86
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene with MolForge

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Related Compounds

10-(4-dibenzofuran-1-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-4,16-dicarbonitrile
CID 164528888
ethane;10-[4-(4-phenylphenyl)phenyl]-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 164528208
10-dibenzothiophen-1-yl-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 164528197
5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591217
10-(2,6-dimethylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 164528250
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163838027
9,11-bis(2,6-diphenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 164528222
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-1-phenylcarbazole
CID 163433245
5-[7-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 169060808
3-dibenzofuran-1-yl-9-methylcarbazole
CID 137388254
10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline
CID 174298468

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?
The IUPAC name of 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene (CID 164528253) is 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene.
What is the SMILES notation for 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?
The canonical SMILES for 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene is c1ccc2c(c1)oc1cccc(-c3ccc(-c4cc5c6ccncc6n6c7cnccc7c(c4)c56)cc3)c12.
What is the InChIKey of 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?
The InChIKey is IHGMNVCWUZSDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3O/c1-2-6-31-26(4-1)33-23(5-3-7-32(33)38-31)21-10-8-20(9-11-21)22-16-27-24-12-14-35-18-29(24)37-30-19-36-15-13-25(30)28(17-22)34(27)37/h1-19H.
What are the key properties of 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?
10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene has a molecular weight of 485.55 g/mol, XLogP of 8.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene is sourced from PubChem (CID 164528253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).