7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline

C127H77N17 — CID 159744472

IUPAC7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
SMILESC1=CC2=C(c3cc(-c4ccccn4)nc(-c4ccccn4)c3)C=CC3=CC=C4C(c5c6ccccc6nc6c5ccc5cccnc56)=CC=C1C4C32.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)c4ncccc34)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc4nc(-c5c6ccccc6nc6c5ccc5cccnc56)ccc4c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C47H29N5.2C40H24N6/c1-2-10-38-36(9-1)45(37-22-17-30-8-7-25-50-46(30)47(37)52-38)35-21-16-29-14-19-33-32(18-13-28-15-20-34(35)44(29)43(28)33)31-26-41(39-11-3-5-23-48-39)51-42(27-31)40-12-4-6-24-49-40;1-2-12-32-29(10-1)37(31-16-15-25-9-7-21-43-38(25)40(31)46-32)30-18-17-27(28-11-8-22-44-39(28)30)26-23-35(33-13-3-5-19-41-33)45-36(24-26)34-14-4-6-20-42-34;1-2-10-32-29(9-1)38(30-16-13-25-8-7-21-43-39(25)40(30)46-32)35-18-15-27-22-26(14-17-31(27)44-35)28-23-36(33-11-3-5-19-41-33)45-37(24-28)34-12-4-6-20-42-34/h1-27,43-44H;2*1-24H
InChIKeyNCWFXPKZOYSHDF-UHFFFAOYSA-N
MW1841.13 g/mol
LogP29.15
Rot. Bonds12

About 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline

7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline (PubChem CID 159744472) has the molecular formula C127H77N17 and a molecular weight of 1841.13 g/mol. Its IUPAC name is 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
PubChem CID159744472
Molecular FormulaC127H77N17
Molecular Weight1841.13 g/mol
Exact Mass1839.65
IUPAC Name7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
SMILESC1=CC2=C(c3cc(-c4ccccn4)nc(-c4ccccn4)c3)C=CC3=CC=C4C(c5c6ccccc6nc6c5ccc5cccnc56)=CC=C1C4C32.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)c4ncccc34)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc4nc(-c5c6ccccc6nc6c5ccc5cccnc56)ccc4c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C47H29N5.2C40H24N6/c1-2-10-38-36(9-1)45(37-22-17-30-8-7-25-50-46(30)47(37)52-38)35-21-16-29-14-19-33-32(18-13-28-15-20-34(35)44(29)43(28)33)31-26-41(39-11-3-5-23-48-39)51-42(27-31)40-12-4-6-24-49-40;1-2-12-32-29(10-1)37(31-16-15-25-9-7-21-43-38(25)40(31)46-32)30-18-17-27(28-11-8-22-44-39(28)30)26-23-35(33-13-3-5-19-41-33)45-36(24-26)34-14-4-6-20-42-34;1-2-10-32-29(9-1)38(30-16-13-25-8-7-21-43-39(25)40(30)46-32)35-18-15-27-22-26(14-17-31(27)44-35)28-23-36(33-11-3-5-19-41-33)45-37(24-28)34-12-4-6-20-42-34/h1-27,43-44H;2*1-24H
InChIKeyNCWFXPKZOYSHDF-UHFFFAOYSA-N
XLogP29.15
TPSA219.13 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001841.13
LogP ≤ 529.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline with MolForge

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Related Compounds

2-[6-(1,10-phenanthrolin-3-yl)-10b,10c-dihydropyren-1-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[6-(1,10-phenanthrolin-2-yl)quinolin-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 161111863
7-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]benzo[b][1,10]phenanthroline;7-[5-(6-pyridin-2-yl-2-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
CID 161112426
7-[5-(3,5-dipyridin-2-ylphenyl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 134559467
7-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139445698
7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
CID 134559802
2-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445845
7-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559203
2-[7-(2,6-dipyridin-2-yl-4-pyridinyl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445816
15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621639
2-phenyl-7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline;7-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158595333
2-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445974
7-[5-(1,10-phenanthrolin-5-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139446085

Frequently Asked Questions

What is the IUPAC name of 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline (CID 159744472) is 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline is C1=CC2=C(c3cc(-c4ccccn4)nc(-c4ccccn4)c3)C=CC3=CC=C4C(c5c6ccccc6nc6c5ccc5cccnc56)=CC=C1C4C32.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)c4ncccc34)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc4nc(-c5c6ccccc6nc6c5ccc5cccnc56)ccc4c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline?
The InChIKey is NCWFXPKZOYSHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5.2C40H24N6/c1-2-10-38-36(9-1)45(37-22-17-30-8-7-25-50-46(30)47(37)52-38)35-21-16-29-14-19-33-32(18-13-28-15-20-34(35)44(29)43(28)33)31-26-41(39-11-3-5-23-48-39)51-42(27-31)40-12-4-6-24-49-40;1-2-12-32-29(10-1)37(31-16-15-25-9-7-21-43-38(25)40(31)46-32)30-18-17-27(28-11-8-22-44-39(28)30)26-23-35(33-13-3-5-19-41-33)45-36(24-26)34-14-4-6-20-42-34;1-2-10-32-29(9-1)38(30-16-13-25-8-7-21-43-39(25)40(30)46-32)35-18-15-27-22-26(14-17-31(27)44-35)28-23-36(33-11-3-5-19-41-33)45-37(24-28)34-12-4-6-20-42-34/h1-27,43-44H;2*1-24H.
What are the key properties of 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline?
7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline has a molecular weight of 1841.13 g/mol, XLogP of 29.15, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-10b,10c-dihydropyren-1-yl]benzo[b][1,10]phenanthroline;7-[5-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-8-yl]benzo[b][1,10]phenanthroline;7-[6-(2,6-dipyridin-2-yl-4-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 159744472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).