2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline

C44H28N2 — CID 134596708

IUPAC2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)nc4c3n2)cc1
InChIInChI=1S/C44H28N2/c1-3-11-29(12-4-1)39-27-25-33-23-24-34-26-28-40(46-44(34)43(33)45-39)30-19-21-32(22-20-30)42-37-17-9-7-15-35(37)41(31-13-5-2-6-14-31)36-16-8-10-18-38(36)42/h1-28H
InChIKeyFMGYGUIRAAGAIK-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.76
Rot. Bonds4

About 2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline

2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline (PubChem CID 134596708) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
PubChem CID134596708
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)nc4c3n2)cc1
InChIInChI=1S/C44H28N2/c1-3-11-29(12-4-1)39-27-25-33-23-24-34-26-28-40(46-44(34)43(33)45-39)30-19-21-32(22-20-30)42-37-17-9-7-15-35(37)41(31-13-5-2-6-14-31)36-16-8-10-18-38(36)42/h1-28H
InChIKeyFMGYGUIRAAGAIK-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-[4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 156545444
2-[10-(4-anthracen-9-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline
CID 134596726
2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline
CID 167363762
2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
CID 170166669
7-phenyl-2-[10-(4-quinolin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 134559323
2-(10-phenylanthracen-9-yl)benzo[h]quinoline
CID 59629573
iridium;2-phenylbenzo[h]quinoline
CID 175438986
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2-phenyl-9-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 134596769
2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
CID 129265651
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline (CID 134596708) is 2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline?
The InChIKey is FMGYGUIRAAGAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-11-29(12-4-1)39-27-25-33-23-24-34-26-28-40(46-44(34)43(33)45-39)30-19-21-32(22-20-30)42-37-17-9-7-15-35(37)41(31-13-5-2-6-14-31)36-16-8-10-18-38(36)42/h1-28H.
What are the key properties of 2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline?
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-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-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 134596708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).