7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline

C34H20N4 — CID 134559451

IUPAC7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)cc3)nc12
InChIInChI=1S/C34H20N4/c1-2-8-29-26(7-1)30(27-17-15-24-6-4-20-36-32(24)34(27)38-29)22-11-9-21(10-12-22)28-18-16-25-14-13-23-5-3-19-35-31(23)33(25)37-28/h1-20H
InChIKeyULDBUYPVNIUOKD-UHFFFAOYSA-N
MW484.56 g/mol
LogP8.37
Rot. Bonds2

About 7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline

7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline (PubChem CID 134559451) has the molecular formula C34H20N4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
PubChem CID134559451
Molecular FormulaC34H20N4
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC Name7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)cc3)nc12
InChIInChI=1S/C34H20N4/c1-2-8-29-26(7-1)30(27-17-15-24-6-4-20-36-32(24)34(27)38-29)22-11-9-21(10-12-22)28-18-16-25-14-13-23-5-3-19-35-31(23)33(25)37-28/h1-20H
InChIKeyULDBUYPVNIUOKD-UHFFFAOYSA-N
XLogP8.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594
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-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
2-[6-(1,10-phenanthrolin-2-yl)-3-pyridinyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445829
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
2-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445974
7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
CID 139446092
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-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139445698
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
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-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline (CID 134559451) is 7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline is c1cnc2c(c1)ccc1ccc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)cc3)nc12.
What is the InChIKey of 7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline?
The InChIKey is ULDBUYPVNIUOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4/c1-2-8-29-26(7-1)30(27-17-15-24-6-4-20-36-32(24)34(27)38-29)22-11-9-21(10-12-22)28-18-16-25-14-13-23-5-3-19-35-31(23)33(25)37-28/h1-20H.
What are the key properties of 7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline?
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline has a molecular weight of 484.56 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 134559451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).