2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline

C37H23N3 — CID 138643771

IUPAC2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C37H23N3/c1-2-7-24(8-3-1)31-23-34(39-33-21-18-25-9-4-5-11-30(25)35(31)33)27-14-12-26(13-15-27)32-20-19-29-17-16-28-10-6-22-38-36(28)37(29)40-32/h1-23H
InChIKeyOLLFZHLXQKMTGP-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.49
Rot. Bonds3

About 2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline

2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline (PubChem CID 138643771) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
PubChem CID138643771
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C37H23N3/c1-2-7-24(8-3-1)31-23-34(39-33-21-18-25-9-4-5-11-30(25)35(31)33)27-14-12-26(13-15-27)32-20-19-29-17-16-28-10-6-22-38-36(28)37(29)40-32/h1-23H
InChIKeyOLLFZHLXQKMTGP-UHFFFAOYSA-N
XLogP9.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568699
5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138644043
3-[4-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;2-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 159402578
1-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;2-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline;5-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline
CID 158908007
2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 161107449
2-[3-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568774
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
2-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 168797186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline (CID 138643771) is 2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline is c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline?
The InChIKey is OLLFZHLXQKMTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-2-7-24(8-3-1)31-23-34(39-33-21-18-25-9-4-5-11-30(25)35(31)33)27-14-12-26(13-15-27)32-20-19-29-17-16-28-10-6-22-38-36(28)37(29)40-32/h1-23H.
What are the key properties of 2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline?
2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline has a molecular weight of 509.61 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 138643771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).