3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C34H21N3O — CID 168734010

IUPAC3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc(-c2cccc(Oc3cc4c5cccc6c7ccccc7n(c4c(-c4ccccc4)n3)c65)n2)cc1
InChIInChI=1S/C34H21N3O/c1-3-11-22(12-4-1)28-18-10-20-30(35-28)38-31-21-27-26-17-9-16-25-24-15-7-8-19-29(24)37(33(25)26)34(27)32(36-31)23-13-5-2-6-14-23/h1-21H
InChIKeyLDTXUKCPCXMRFO-UHFFFAOYSA-N
MW487.56 g/mol
LogP8.75
Rot. Bonds4

About 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 168734010) has the molecular formula C34H21N3O and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID168734010
Molecular FormulaC34H21N3O
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc(-c2cccc(Oc3cc4c5cccc6c7ccccc7n(c4c(-c4ccccc4)n3)c65)n2)cc1
InChIInChI=1S/C34H21N3O/c1-3-11-22(12-4-1)28-18-10-20-30(35-28)38-31-21-27-26-17-9-16-25-24-15-7-8-19-29(24)37(33(25)26)34(27)32(36-31)23-13-5-2-6-14-23/h1-21H
InChIKeyLDTXUKCPCXMRFO-UHFFFAOYSA-N
XLogP8.75
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[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-[3-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-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 176758725
5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396475
5-phenanthren-9-yl-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396472
4-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-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 176758762
5-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396959
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
10-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-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 176879986
4-[3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-5-phenylphenyl]-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 176758840
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-10-(2,6-diphenylpyrimidin-4-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;5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-10-(4,6-diphenylpyrimidin-2-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;5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-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 165012112
26-(4,6-diphenylpyrimidin-2-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 163971328
9-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396505
10-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 121298167

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[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 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 168734010) is 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[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 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[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 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc(-c2cccc(Oc3cc4c5cccc6c7ccccc7n(c4c(-c4ccccc4)n3)c65)n2)cc1.
What is the InChIKey of 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is LDTXUKCPCXMRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3O/c1-3-11-22(12-4-1)28-18-10-20-30(35-28)38-31-21-27-26-17-9-16-25-24-15-7-8-19-29(24)37(33(25)26)34(27)32(36-31)23-13-5-2-6-14-23/h1-21H.
What are the key properties of 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[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 487.56 g/mol, XLogP of 8.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[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 168734010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).