16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

C35H23N5 — CID 118458438

IUPAC16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESc1cncc(-c2cc(-c3cccnc3)cc(-c3ccccc3-n3c4ccccc4c4nc5ccccn5c43)c2)c1
InChIInChI=1S/C35H23N5/c1-3-13-31(40-32-14-4-2-12-30(32)34-35(40)39-18-6-5-15-33(39)38-34)29(11-1)28-20-26(24-9-7-16-36-22-24)19-27(21-28)25-10-8-17-37-23-25/h1-23H
InChIKeyNUPYGDZOIIGEGH-UHFFFAOYSA-N
MW513.60 g/mol
LogP8.22
Rot. Bonds4

About 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 118458438) has the molecular formula C35H23N5 and a molecular weight of 513.60 g/mol. Its IUPAC name is 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

Molecular Properties

Compound Name16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
PubChem CID118458438
Molecular FormulaC35H23N5
Molecular Weight513.60 g/mol
Exact Mass513.20
IUPAC Name16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESc1cncc(-c2cc(-c3cccnc3)cc(-c3ccccc3-n3c4ccccc4c4nc5ccccn5c43)c2)c1
InChIInChI=1S/C35H23N5/c1-3-13-31(40-32-14-4-2-12-30(32)34-35(40)39-18-6-5-15-33(39)38-34)29(11-1)28-20-26(24-9-7-16-36-22-24)19-27(21-28)25-10-8-17-37-23-25/h1-23H
InChIKeyNUPYGDZOIIGEGH-UHFFFAOYSA-N
XLogP8.22
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene with MolForge

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Related Compounds

16-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 118458426
16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 159133127
16-[4-(2-phenylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 118458480
16-[6-(4,6-diphenylpyrimidin-2-yl)-3-pyridinyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 118458450
16-(4,6-diphenylpyrimidin-2-yl)-2,8,14,16-tetrazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene
CID 118458468
9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
CID 129088914
9-(2,6-dipyridin-3-yl-4-pyridinyl)carbazole
CID 135264911
2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 63617576
5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59325982
9-[6-(3,5-dipyridin-3-ylphenyl)-9,9,10,10-tetramethylanthracen-2-yl]carbazole
CID 146209484
5,17-di(carbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-11-pyridin-3-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 170529858
4-[3-(3,5-dipyridin-3-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]isoquinoline
CID 58479961

Frequently Asked Questions

What is the IUPAC name of 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The IUPAC name of 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 118458438) is 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
What is the SMILES notation for 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The canonical SMILES for 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is c1cncc(-c2cc(-c3cccnc3)cc(-c3ccccc3-n3c4ccccc4c4nc5ccccn5c43)c2)c1.
What is the InChIKey of 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The InChIKey is NUPYGDZOIIGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5/c1-3-13-31(40-32-14-4-2-12-30(32)34-35(40)39-18-6-5-15-33(39)38-34)29(11-1)28-20-26(24-9-7-16-36-22-24)19-27(21-28)25-10-8-17-37-23-25/h1-23H.
What are the key properties of 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 513.60 g/mol, XLogP of 8.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[2-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 118458438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).