15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

C48H33N3O — CID 165161147

IUPAC15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
SMILESCc1ccccc1-c1cc(Oc2cccc(-c3nccc4c3c3cccc5c6cc(-c7ccccc7C)ccc6n4c53)c2)cc(-c2ccccn2)c1
InChIInChI=1S/C48H33N3O/c1-30-11-3-5-15-38(30)32-20-21-44-42(29-32)40-17-10-18-41-46-45(51(44)48(40)41)22-24-50-47(46)33-13-9-14-36(26-33)52-37-27-34(39-16-6-4-12-31(39)2)25-35(28-37)43-19-7-8-23-49-43/h3-29H,1-2H3
InChIKeyXNWUGLZKSYJBOF-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.70
Rot. Bonds6

About 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[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 165161147) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[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 Name15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
PubChem CID165161147
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
SMILESCc1ccccc1-c1cc(Oc2cccc(-c3nccc4c3c3cccc5c6cc(-c7ccccc7C)ccc6n4c53)c2)cc(-c2ccccn2)c1
InChIInChI=1S/C48H33N3O/c1-30-11-3-5-15-38(30)32-20-21-44-42(29-32)40-17-10-18-41-46-45(51(44)48(40)41)22-24-50-47(46)33-13-9-14-36(26-33)52-37-27-34(39-16-6-4-12-31(39)2)25-35(28-37)43-19-7-8-23-49-43/h3-29H,1-2H3
InChIKeyXNWUGLZKSYJBOF-UHFFFAOYSA-N
XLogP12.70
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[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

2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine
CID 139363753
14-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-3-methylphenyl]-3-methylphenyl]-5-[3-methyl-4-(2-methylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
CID 134534645
2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562263
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-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 166737595
5,10-bis(4,6-dipyridin-2-yl-2-pyridinyl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene
CID 164839242
21-pyridin-2-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene
CID 177095574
2-[3-(2-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562312
5,20-bis[2-(2-methylphenyl)phenyl]-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 154591214
16-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 155312222
9-(2-phenyl-1,8-naphthyridin-4-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-[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;5-phenyl-10-(3-quinolin-5-ylphenyl)-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-pyridin-2-yl-10-quinolin-5-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 160872155
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole
CID 142597624
19-(4-methyl-2-pyridinyl)-10-thia-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16(21),17,19,22(26),23-dodecaene
CID 164803136

Frequently Asked Questions

What is the IUPAC name of 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[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 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene (CID 165161147) is 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[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 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[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 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene is Cc1ccccc1-c1cc(Oc2cccc(-c3nccc4c3c3cccc5c6cc(-c7ccccc7C)ccc6n4c53)c2)cc(-c2ccccn2)c1.
What is the InChIKey of 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[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 XNWUGLZKSYJBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-30-11-3-5-15-38(30)32-20-21-44-42(29-32)40-17-10-18-41-46-45(51(44)48(40)41)22-24-50-47(46)33-13-9-14-36(26-33)52-37-27-34(39-16-6-4-12-31(39)2)25-35(28-37)43-19-7-8-23-49-43/h3-29H,1-2H3.
What are the key properties of 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene?
15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[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 667.81 g/mol, XLogP of 12.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-methylphenyl)-6-[3-[3-(2-methylphenyl)-5-pyridin-2-ylphenoxy]phenyl]-1,5-diazapentacyclo[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 165161147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).