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

C118H72N12 — CID 158595333

IUPAC2-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
SMILESc1ccc(-c2ccc3ccc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)cc4)cc3n2)nc1.c1ccc(-c2ccc3ccc(-c4ccc5cc(-c6c7ccccc7nc7c6ccc6cccnc67)ccc5c4)cc3n2)nc1.c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7ccc(-c8ccccn8)nc7c6)cc5)c5ccccc5nc4c3n2)cc1
InChIInChI=1S/C42H26N4.C40H24N4.C36H22N4/c1-2-8-28(9-3-1)35-23-21-31-19-22-34-40(33-10-4-5-11-36(33)46-42(34)41(31)45-35)30-16-13-27(14-17-30)32-18-15-29-20-24-38(44-39(29)26-32)37-12-6-7-25-43-37;1-2-8-34-32(7-1)38(33-18-16-26-6-5-21-42-39(26)40(33)44-34)31-15-14-27-22-28(12-13-29(27)23-31)30-11-10-25-17-19-36(43-37(25)24-30)35-9-3-4-20-41-35;1-2-8-30-28(7-1)34(29-18-16-26-6-5-21-38-35(26)36(29)40-30)25-13-10-23(11-14-25)27-15-12-24-17-19-32(39-33(24)22-27)31-9-3-4-20-37-31/h1-26H;1-24H;1-22H
InChIKeyHUYNEGUCDDUQBB-UHFFFAOYSA-N
MW1657.96 g/mol
LogP29.46
Rot. Bonds10

About 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

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 (PubChem CID 158595333) has the molecular formula C118H72N12 and a molecular weight of 1657.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158595333
Molecular FormulaC118H72N12
Molecular Weight1657.96 g/mol
Exact Mass1656.60
IUPAC Name2-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
SMILESc1ccc(-c2ccc3ccc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)cc4)cc3n2)nc1.c1ccc(-c2ccc3ccc(-c4ccc5cc(-c6c7ccccc7nc7c6ccc6cccnc67)ccc5c4)cc3n2)nc1.c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7ccc(-c8ccccn8)nc7c6)cc5)c5ccccc5nc4c3n2)cc1
InChIInChI=1S/C42H26N4.C40H24N4.C36H22N4/c1-2-8-28(9-3-1)35-23-21-31-19-22-34-40(33-10-4-5-11-36(33)46-42(34)41(31)45-35)30-16-13-27(14-17-30)32-18-15-29-20-24-38(44-39(29)26-32)37-12-6-7-25-43-37;1-2-8-34-32(7-1)38(33-18-16-26-6-5-21-42-39(26)40(33)44-34)31-15-14-27-22-28(12-13-29(27)23-31)30-11-10-25-17-19-36(43-37(25)24-30)35-9-3-4-20-41-35;1-2-8-30-28(7-1)34(29-18-16-26-6-5-21-38-35(26)36(29)40-30)25-13-10-23(11-14-25)27-15-12-24-17-19-32(39-33(24)22-27)31-9-3-4-20-37-31/h1-26H;1-24H;1-22H
InChIKeyHUYNEGUCDDUQBB-UHFFFAOYSA-N
XLogP29.46
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.96
LogP ≤ 529.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

7-naphthalen-2-yl-2-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 139445804
7-phenyl-2-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139445812
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
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
2-[6-(1,10-phenanthrolin-2-yl)-3-pyridinyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445829
2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165006532
7-phenyl-2-[2-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)quinolin-7-yl]benzo[b][1,10]phenanthroline
CID 139445989
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;2-phenyl-7-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158696446
7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline;7-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]benzo[b][1,10]phenanthroline;2-phenyl-7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 160566107
2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3ccc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)cc4)cc3n2)nc1.c1ccc(-c2ccc3ccc(-c4ccc5cc(-c6c7ccccc7nc7c6ccc6cccnc67)ccc5c4)cc3n2)nc1.c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7ccc(-c8ccccn8)nc7c6)cc5)c5ccccc5nc4c3n2)cc1.
What is the InChIKey of 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?
The InChIKey is HUYNEGUCDDUQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4.C40H24N4.C36H22N4/c1-2-8-28(9-3-1)35-23-21-31-19-22-34-40(33-10-4-5-11-36(33)46-42(34)41(31)45-35)30-16-13-27(14-17-30)32-18-15-29-20-24-38(44-39(29)26-32)37-12-6-7-25-43-37;1-2-8-34-32(7-1)38(33-18-16-26-6-5-21-42-39(26)40(33)44-34)31-15-14-27-22-28(12-13-29(27)23-31)30-11-10-25-17-19-36(43-37(25)24-30)35-9-3-4-20-41-35;1-2-8-30-28(7-1)34(29-18-16-26-6-5-21-38-35(26)36(29)40-30)25-13-10-23(11-14-25)27-15-12-24-17-19-32(39-33(24)22-27)31-9-3-4-20-37-31/h1-26H;1-24H;1-22H.
What are the key properties of 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?
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 has a molecular weight of 1657.96 g/mol, XLogP of 29.46, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158595333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).