10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene

C28H18N6 — CID 118104791

IUPAC10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
SMILESc1ccc(-n2c3ccccc3c3c4ncncc4n(-c4cccc(-c5ccccn5)n4)c32)cc1
InChIInChI=1S/C28H18N6/c1-2-9-19(10-3-1)33-23-14-5-4-11-20(23)26-27-24(17-29-18-31-27)34(28(26)33)25-15-8-13-22(32-25)21-12-6-7-16-30-21/h1-18H
InChIKeyHXONAFZWOIIULK-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.97
Rot. Bonds3

About 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene

10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene (PubChem CID 118104791) has the molecular formula C28H18N6 and a molecular weight of 438.49 g/mol. Its IUPAC name is 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene.

Molecular Properties

Compound Name10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
PubChem CID118104791
Molecular FormulaC28H18N6
Molecular Weight438.49 g/mol
Exact Mass438.16
IUPAC Name10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
SMILESc1ccc(-n2c3ccccc3c3c4ncncc4n(-c4cccc(-c5ccccn5)n4)c32)cc1
InChIInChI=1S/C28H18N6/c1-2-9-19(10-3-1)33-23-14-5-4-11-20(23)26-27-24(17-29-18-31-27)34(28(26)33)25-15-8-13-22(32-25)21-12-6-7-16-30-21/h1-18H
InChIKeyHXONAFZWOIIULK-UHFFFAOYSA-N
XLogP5.97
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene with MolForge

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Related Compounds

8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
CID 118104643
7-(4-phenylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)indolo[2,3-b]carbazole
CID 129254521
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611
6-(6-pyridin-2-yl-2-pyridinyl)-3-(6-pyridin-3-yl-2-pyridinyl)pyrrolo[2,3-c]carbazole
CID 123972055
9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497
2,3-diphenyl-6-(6-pyridin-2-yl-2-pyridinyl)imidazo[4,5-c]carbazole;2,3-diphenyl-6-(6-pyridin-3-yl-2-pyridinyl)imidazo[4,5-c]carbazole;2,3-diphenyl-6-(6-pyridin-3-yl-3-pyridinyl)imidazo[4,5-c]carbazole;2,3-diphenyl-6-(6-pyridin-4-yl-3-pyridinyl)imidazo[4,5-c]carbazole
CID 160526110
25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432127
9-phenyl-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038408
5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
CID 101437629
25-(6-pyridin-2-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432559

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
The IUPAC name of 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene (CID 118104791) is 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene.
What is the SMILES notation for 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
The canonical SMILES for 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene is c1ccc(-n2c3ccccc3c3c4ncncc4n(-c4cccc(-c5ccccn5)n4)c32)cc1.
What is the InChIKey of 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
The InChIKey is HXONAFZWOIIULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N6/c1-2-9-19(10-3-1)33-23-14-5-4-11-20(23)26-27-24(17-29-18-31-27)34(28(26)33)25-15-8-13-22(32-25)21-12-6-7-16-30-21/h1-18H.
What are the key properties of 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene has a molecular weight of 438.49 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene is sourced from PubChem (CID 118104791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).