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

C34H22N6 — CID 118458450

IUPAC16-[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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5nc6ccccn6c54)cn3)n2)cc1
InChIInChI=1S/C34H22N6/c1-3-11-23(12-4-1)28-21-29(24-13-5-2-6-14-24)37-33(36-28)27-19-18-25(22-35-27)40-30-16-8-7-15-26(30)32-34(40)39-20-10-9-17-31(39)38-32/h1-22H
InChIKeyYCPIRHYOUBFGJU-UHFFFAOYSA-N
MW514.59 g/mol
LogP7.62
Rot. Bonds4

About 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

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 (PubChem CID 118458450) has the molecular formula C34H22N6 and a molecular weight of 514.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name16-[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
PubChem CID118458450
Molecular FormulaC34H22N6
Molecular Weight514.59 g/mol
Exact Mass514.19
IUPAC Name16-[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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5nc6ccccn6c54)cn3)n2)cc1
InChIInChI=1S/C34H22N6/c1-3-11-23(12-4-1)28-21-29(24-13-5-2-6-14-24)37-33(36-28)27-19-18-25(22-35-27)40-30-16-8-7-15-26(30)32-34(40)39-20-10-9-17-31(39)38-32/h1-22H
InChIKeyYCPIRHYOUBFGJU-UHFFFAOYSA-N
XLogP7.62
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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-[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-[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
9-[6-(2,6-diphenylpyrimidin-4-yl)-3-pyridinyl]carbazole
CID 130359562
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-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 118699054
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
2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163560758
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole
CID 59431404
7-(4,6-diphenyl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole;7-(4,6-diphenylpyrimidin-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(6-phenyl-3-pyridinyl)indolo[2,3-b]carbazole
CID 158501011
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5nc6ccccn6c54)cn3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is YCPIRHYOUBFGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N6/c1-3-11-23(12-4-1)28-21-29(24-13-5-2-6-14-24)37-33(36-28)27-19-18-25(22-35-27)40-30-16-8-7-15-26(30)32-34(40)39-20-10-9-17-31(39)38-32/h1-22H.
What are the key properties of 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?
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 has a molecular weight of 514.59 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118458450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).