2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline

C36H22N2 — CID 164937856

IUPAC2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
SMILESc1ccc2c(-c3ccc4c5ccccc5c5ccc(-c6cccc7ccccc67)nc5c4n3)cccc2c1
InChIInChI=1S/C36H22N2/c1-3-13-25-23(9-1)11-7-17-29(25)33-21-19-31-27-15-5-6-16-28(27)32-20-22-34(38-36(32)35(31)37-33)30-18-8-12-24-10-2-4-14-26(24)30/h1-22H
InChIKeyLQYJWADTXZMFIU-UHFFFAOYSA-N
MW482.59 g/mol
LogP9.58
Rot. Bonds2

About 2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline

2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline (PubChem CID 164937856) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline.

Molecular Properties

Compound Name2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
PubChem CID164937856
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
SMILESc1ccc2c(-c3ccc4c5ccccc5c5ccc(-c6cccc7ccccc67)nc5c4n3)cccc2c1
InChIInChI=1S/C36H22N2/c1-3-13-25-23(9-1)11-7-17-29(25)33-21-19-31-27-15-5-6-16-28(27)32-20-22-34(38-36(32)35(31)37-33)30-18-8-12-24-10-2-4-14-26(24)30/h1-22H
InChIKeyLQYJWADTXZMFIU-UHFFFAOYSA-N
XLogP9.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
CID 20596675
3-naphthalen-1-ylbenzo[f]quinoline
CID 59470281
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
2-naphthalen-1-yl-4,7-di(quinolin-2-yl)-1,10-phenanthroline
CID 163663033
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422
2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88914352

Frequently Asked Questions

What is the IUPAC name of 2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline?
The IUPAC name of 2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline (CID 164937856) is 2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline.
What is the SMILES notation for 2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline?
The canonical SMILES for 2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline is c1ccc2c(-c3ccc4c5ccccc5c5ccc(-c6cccc7ccccc67)nc5c4n3)cccc2c1.
What is the InChIKey of 2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline?
The InChIKey is LQYJWADTXZMFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c1-3-13-25-23(9-1)11-7-17-29(25)33-21-19-31-27-15-5-6-16-28(27)32-20-22-34(38-36(32)35(31)37-33)30-18-8-12-24-10-2-4-14-26(24)30/h1-22H.
What are the key properties of 2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline?
2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline has a molecular weight of 482.59 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline is sourced from PubChem (CID 164937856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).