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

C125H75N13 — CID 160566107

IUPAC7-[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
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6ccc(-c8ccccc8)nc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)nc5)nc4c3n2)cc1
InChIInChI=1S/C46H28N4.C40H24N4.C39H23N5/c1-3-9-29(10-4-1)38-26-22-33-19-20-34-23-28-40(48-44(34)43(33)47-38)31-15-17-32(18-16-31)42-36-13-7-8-14-41(36)50-46-37(42)25-21-35-24-27-39(49-45(35)46)30-11-5-2-6-12-30;1-2-7-25(8-3-1)33-22-19-29-16-17-30-20-23-34(43-39(30)38(29)42-33)26-12-14-27(15-13-26)36-31-10-4-5-11-35(31)44-40-32(36)21-18-28-9-6-24-41-37(28)40;1-2-7-24(8-3-1)31-19-15-26-12-13-27-16-20-32(43-38(27)37(26)42-31)28-17-21-34(41-23-28)35-29-10-4-5-11-33(29)44-39-30(35)18-14-25-9-6-22-40-36(25)39/h1-28H;1-24H;1-23H
InChIKeyQZYBRNQVYAEIET-UHFFFAOYSA-N
MW1759.07 g/mol
LogP31.16
Rot. Bonds10

About 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

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 (PubChem CID 160566107) has the molecular formula C125H75N13 and a molecular weight of 1759.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID160566107
Molecular FormulaC125H75N13
Molecular Weight1759.07 g/mol
Exact Mass1757.63
IUPAC Name7-[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
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6ccc(-c8ccccc8)nc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)nc5)nc4c3n2)cc1
InChIInChI=1S/C46H28N4.C40H24N4.C39H23N5/c1-3-9-29(10-4-1)38-26-22-33-19-20-34-23-28-40(48-44(34)43(33)47-38)31-15-17-32(18-16-31)42-36-13-7-8-14-41(36)50-46-37(42)25-21-35-24-27-39(49-45(35)46)30-11-5-2-6-12-30;1-2-7-25(8-3-1)33-22-19-29-16-17-30-20-23-34(43-39(30)38(29)42-33)26-12-14-27(15-13-26)36-31-10-4-5-11-35(31)44-40-32(36)21-18-28-9-6-24-41-37(28)40;1-2-7-24(8-3-1)31-19-15-26-12-13-27-16-20-32(43-38(27)37(26)42-31)28-17-21-34(41-23-28)35-29-10-4-5-11-33(29)44-39-30(35)18-14-25-9-6-22-40-36(25)39/h1-28H;1-24H;1-23H
InChIKeyQZYBRNQVYAEIET-UHFFFAOYSA-N
XLogP31.16
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001759.07
LogP ≤ 531.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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-[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 with MolForge

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Related Compounds

2-[6-(1,10-phenanthrolin-2-yl)-3-pyridinyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445829
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline
CID 139445668
7-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330
7-[4-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]benzo[b][1,10]phenanthroline
CID 139445711
7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline
CID 158522019
7-phenyl-2-[10-(4-quinolin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 134559323
2-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445974
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6ccc(-c8ccccc8)nc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)nc5)nc4c3n2)cc1.
What is the InChIKey of 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?
The InChIKey is QZYBRNQVYAEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4.C40H24N4.C39H23N5/c1-3-9-29(10-4-1)38-26-22-33-19-20-34-23-28-40(48-44(34)43(33)47-38)31-15-17-32(18-16-31)42-36-13-7-8-14-41(36)50-46-37(42)25-21-35-24-27-39(49-45(35)46)30-11-5-2-6-12-30;1-2-7-25(8-3-1)33-22-19-29-16-17-30-20-23-34(43-39(30)38(29)42-33)26-12-14-27(15-13-26)36-31-10-4-5-11-35(31)44-40-32(36)21-18-28-9-6-24-41-37(28)40;1-2-7-24(8-3-1)31-19-15-26-12-13-27-16-20-32(43-38(27)37(26)42-31)28-17-21-34(41-23-28)35-29-10-4-5-11-33(29)44-39-30(35)18-14-25-9-6-22-40-36(25)39/h1-28H;1-24H;1-23H.
What are the key properties of 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?
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 has a molecular weight of 1759.07 g/mol, XLogP of 31.16, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160566107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).