19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene

C36H22N4 — CID 90432486

IUPAC19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6c6cc7ccccc7n65)c43)n2)nc1
InChIInChI=1S/C36H22N4/c1-5-16-30-23(10-1)22-33-24-11-2-3-13-26(24)35-32(39(30)33)20-19-27-25-12-4-6-17-31(25)40(36(27)35)34-18-9-15-29(38-34)28-14-7-8-21-37-28/h1-22H
InChIKeyWBRAFFVFMZOATK-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.95
Rot. Bonds2

About 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene

19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene (PubChem CID 90432486) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene.

Molecular Properties

Compound Name19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene
PubChem CID90432486
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6c6cc7ccccc7n65)c43)n2)nc1
InChIInChI=1S/C36H22N4/c1-5-16-30-23(10-1)22-33-24-11-2-3-13-26(24)35-32(39(30)33)20-19-27-25-12-4-6-17-31(25)40(36(27)35)34-18-9-15-29(38-34)28-14-7-8-21-37-28/h1-22H
InChIKeyWBRAFFVFMZOATK-UHFFFAOYSA-N
XLogP8.95
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene with MolForge

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Related Compounds

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
19-[4,6-bis(3-phenylphenyl)-2-pyridinyl]-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene
CID 90432641
12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 58038308
21-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-10,21-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),22,24,26-tridecaene
CID 90432744
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611
20-(6-phenyl-2-pyridinyl)-2,20-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432111
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 58570039
26-(6-phenyl-2-pyridinyl)-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432826
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
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
7-(4-phenylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)indolo[2,3-b]carbazole
CID 129254521
25-[4,6-bis(3-phenylphenyl)-2-pyridinyl]-2,25-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432268

Frequently Asked Questions

What is the IUPAC name of 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene?
The IUPAC name of 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene (CID 90432486) is 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene.
What is the SMILES notation for 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene?
The canonical SMILES for 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6c6cc7ccccc7n65)c43)n2)nc1.
What is the InChIKey of 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene?
The InChIKey is WBRAFFVFMZOATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-5-16-30-23(10-1)22-33-24-11-2-3-13-26(24)35-32(39(30)33)20-19-27-25-12-4-6-17-31(25)40(36(27)35)34-18-9-15-29(38-34)28-14-7-8-21-37-28/h1-22H.
What are the key properties of 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene?
19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene has a molecular weight of 510.60 g/mol, XLogP of 8.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(6-pyridin-2-yl-2-pyridinyl)-2,19-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene is sourced from PubChem (CID 90432486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).