5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline

C40H28N2 — CID 175634953

IUPAC5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
SMILESCc1c(C)c2ccc(-c3ccc(-c4cccc5c(-c6cccc7ccccc67)cccc45)cc3)nc2c2ncccc12
InChIInChI=1S/C40H28N2/c1-25-26(2)31-22-23-38(42-40(31)39-30(25)17-8-24-41-39)29-20-18-28(19-21-29)33-12-6-15-36-35(33)14-7-16-37(36)34-13-5-10-27-9-3-4-11-32(27)34/h3-24H,1-2H3
InChIKeyKWMFPQPEGATILI-UHFFFAOYSA-N
MW536.68 g/mol
LogP10.71
Rot. Bonds3

About 5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline

5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline (PubChem CID 175634953) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
PubChem CID175634953
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
SMILESCc1c(C)c2ccc(-c3ccc(-c4cccc5c(-c6cccc7ccccc67)cccc45)cc3)nc2c2ncccc12
InChIInChI=1S/C40H28N2/c1-25-26(2)31-22-23-38(42-40(31)39-30(25)17-8-24-41-39)29-20-18-28(19-21-29)33-12-6-15-36-35(33)14-7-16-37(36)34-13-5-10-27-9-3-4-11-32(27)34/h3-24H,1-2H3
InChIKeyKWMFPQPEGATILI-UHFFFAOYSA-N
XLogP10.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 510.71
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-[4-(3-naphthalen-1-ylphenyl)phenyl]-1,10-phenanthroline
CID 175634950
5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
CID 20596675
7-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]pyridine
CID 71174823
2-(4-dibenzothiophen-4-ylphenyl)-5,6-dimethoxy-1,10-phenanthroline
CID 90050116
2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981
9-naphthalen-1-yl-2-[4-[2-[4-(9-naphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]phenyl]phenyl]benzo[h]quinoline
CID 59010410
2-[4-(8,11-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1,10-phenanthroline
CID 121460944
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
5-[2-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylnaphthalen-1-yl)pyrimidin-4-yl]-1,10-phenanthroline
CID 162774161

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline (CID 175634953) is 5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline is Cc1c(C)c2ccc(-c3ccc(-c4cccc5c(-c6cccc7ccccc67)cccc45)cc3)nc2c2ncccc12.
What is the InChIKey of 5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline?
The InChIKey is KWMFPQPEGATILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-25-26(2)31-22-23-38(42-40(31)39-30(25)17-8-24-41-39)29-20-18-28(19-21-29)33-12-6-15-36-35(33)14-7-16-37(36)34-13-5-10-27-9-3-4-11-32(27)34/h3-24H,1-2H3.
What are the key properties of 5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline?
5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline has a molecular weight of 536.68 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 175634953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).