2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline

C44H28N2 — CID 176639413

IUPAC2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3ccc4ccc5cccnc5c4n3)c3ccccc23)cc1
InChIInChI=1S/C44H28N2/c1-3-13-29(14-4-1)33-22-11-23-34(30-15-5-2-6-16-30)41(33)42-37-20-9-7-18-35(37)40(36-19-8-10-21-38(36)42)39-27-26-32-25-24-31-17-12-28-45-43(31)44(32)46-39/h1-28H
InChIKeyCCFJFMVKVIZVMX-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.76
Rot. Bonds4

About 2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline

2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline (PubChem CID 176639413) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline
PubChem CID176639413
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3ccc4ccc5cccnc5c4n3)c3ccccc23)cc1
InChIInChI=1S/C44H28N2/c1-3-13-29(14-4-1)33-22-11-23-34(30-15-5-2-6-16-30)41(33)42-37-20-9-7-18-35(37)40(36-19-8-10-21-38(36)42)39-27-26-32-25-24-31-17-12-28-45-43(31)44(32)46-39/h1-28H
InChIKeyCCFJFMVKVIZVMX-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
2-[10-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)anthracen-9-yl]-1,10-phenanthroline
CID 167412146
2-[4-[4-(5-phenylthiophen-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166508990
2-[4-(8,11-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1,10-phenanthroline
CID 121460944
2-[3-(10-phenylanthracen-9-yl)-5-(4-pyrimidin-2-ylphenyl)phenyl]-1,10-phenanthroline
CID 142588778
2-(10-phenylanthracen-9-yl)benzo[h]quinoline
CID 59629573

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline?
The IUPAC name of 2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline (CID 176639413) is 2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline is c1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3ccc4ccc5cccnc5c4n3)c3ccccc23)cc1.
What is the InChIKey of 2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline?
The InChIKey is CCFJFMVKVIZVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-13-29(14-4-1)33-22-11-23-34(30-15-5-2-6-16-30)41(33)42-37-20-9-7-18-35(37)40(36-19-8-10-21-38(36)42)39-27-26-32-25-24-31-17-12-28-45-43(31)44(32)46-39/h1-28H.
What are the key properties of 2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline?
2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline has a molecular weight of 584.72 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline is sourced from PubChem (CID 176639413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).