7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline

C112H64N14 — CID 158503228

IUPAC7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline
SMILESc1cc(-c2c3ccccc3nc3c2ccc2cccnc23)cc(-c2c3ccccc3nc3c2ccc2cccnc23)c1.c1cc(-c2c3ccccc3nc3c2ccc2cccnc23)nc(-c2c3ccccc3nc3c2ccc2cccnc23)c1.c1cnc2c(c1)ccc1c(-c3cncc(-c4c5ccccc5nc5c4ccc4cccnc45)c3)c3ccccc3nc12
InChIInChI=1S/C38H22N4.2C37H21N5/c1-3-14-31-27(12-1)33(29-18-16-23-10-6-20-39-35(23)37(29)41-31)25-8-5-9-26(22-25)34-28-13-2-4-15-32(28)42-38-30(34)19-17-24-11-7-21-40-36(24)38;1-3-12-28-24(10-1)32(26-18-16-22-8-6-20-38-34(22)36(26)41-28)30-14-5-15-31(40-30)33-25-11-2-4-13-29(25)42-37-27(33)19-17-23-9-7-21-39-35(23)37;1-3-11-30-26(9-1)32(28-15-13-22-7-5-17-39-34(22)36(28)41-30)24-19-25(21-38-20-24)33-27-10-2-4-12-31(27)42-37-29(33)16-14-23-8-6-18-40-35(23)37/h1-22H;2*1-21H
InChIKeyHKDRJVFSOZEREJ-UHFFFAOYSA-N
MW1605.84 g/mol
LogP27.35
Rot. Bonds6

About 7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline

7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline (PubChem CID 158503228) has the molecular formula C112H64N14 and a molecular weight of 1605.84 g/mol. Its IUPAC name is 7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline
PubChem CID158503228
Molecular FormulaC112H64N14
Molecular Weight1605.84 g/mol
Exact Mass1604.54
IUPAC Name7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline
SMILESc1cc(-c2c3ccccc3nc3c2ccc2cccnc23)cc(-c2c3ccccc3nc3c2ccc2cccnc23)c1.c1cc(-c2c3ccccc3nc3c2ccc2cccnc23)nc(-c2c3ccccc3nc3c2ccc2cccnc23)c1.c1cnc2c(c1)ccc1c(-c3cncc(-c4c5ccccc5nc5c4ccc4cccnc45)c3)c3ccccc3nc12
InChIInChI=1S/C38H22N4.2C37H21N5/c1-3-14-31-27(12-1)33(29-18-16-23-10-6-20-39-35(23)37(29)41-31)25-8-5-9-26(22-25)34-28-13-2-4-15-32(28)42-38-30(34)19-17-24-11-7-21-40-36(24)38;1-3-12-28-24(10-1)32(26-18-16-22-8-6-20-38-34(22)36(26)41-28)30-14-5-15-31(40-30)33-25-11-2-4-13-29(25)42-37-27(33)19-17-23-9-7-21-39-35(23)37;1-3-11-30-26(9-1)32(28-15-13-22-7-5-17-39-34(22)36(28)41-30)24-19-25(21-38-20-24)33-27-10-2-4-12-31(27)42-37-29(33)16-14-23-8-6-18-40-35(23)37/h1-22H;2*1-21H
InChIKeyHKDRJVFSOZEREJ-UHFFFAOYSA-N
XLogP27.35
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.84
LogP ≤ 527.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline with MolForge

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Related Compounds

7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
CID 139446092
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
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-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445841
7-[4-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-3-ylphenyl)-4-pyridinyl]phenyl]benzo[b][1,10]phenanthroline
CID 139445711
2-[6-(1,10-phenanthrolin-2-yl)-3-pyridinyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445829
2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594
7-[7-(1,10-phenanthrolin-5-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559393
7-[5-(3,5-dipyridin-2-ylphenyl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 134559467

Frequently Asked Questions

What is the IUPAC name of 7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline?
The IUPAC name of 7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline (CID 158503228) is 7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline is c1cc(-c2c3ccccc3nc3c2ccc2cccnc23)cc(-c2c3ccccc3nc3c2ccc2cccnc23)c1.c1cc(-c2c3ccccc3nc3c2ccc2cccnc23)nc(-c2c3ccccc3nc3c2ccc2cccnc23)c1.c1cnc2c(c1)ccc1c(-c3cncc(-c4c5ccccc5nc5c4ccc4cccnc45)c3)c3ccccc3nc12.
What is the InChIKey of 7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline?
The InChIKey is HKDRJVFSOZEREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4.2C37H21N5/c1-3-14-31-27(12-1)33(29-18-16-23-10-6-20-39-35(23)37(29)41-31)25-8-5-9-26(22-25)34-28-13-2-4-15-32(28)42-38-30(34)19-17-24-11-7-21-40-36(24)38;1-3-12-28-24(10-1)32(26-18-16-22-8-6-20-38-34(22)36(26)41-28)30-14-5-15-31(40-30)33-25-11-2-4-13-29(25)42-37-27(33)19-17-23-9-7-21-39-35(23)37;1-3-11-30-26(9-1)32(28-15-13-22-7-5-17-39-34(22)36(28)41-30)24-19-25(21-38-20-24)33-27-10-2-4-12-31(27)42-37-29(33)16-14-23-8-6-18-40-35(23)37/h1-22H;2*1-21H.
What are the key properties of 7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline?
7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline has a molecular weight of 1605.84 g/mol, XLogP of 27.35, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline is sourced from PubChem (CID 158503228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).