2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline

C41H27N3 — CID 146474012

IUPAC2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5ccc6cccnc6c5n4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C41H27N3/c1-3-8-28(9-4-1)30-13-17-32(18-14-30)38-26-36(37-24-23-35-22-21-34-12-7-25-42-40(34)41(35)44-37)27-39(43-38)33-19-15-31(16-20-33)29-10-5-2-6-11-29/h1-27H
InChIKeyAIVWYPZZFSRICP-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.51
Rot. Bonds5

About 2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline

2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline (PubChem CID 146474012) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
PubChem CID146474012
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5ccc6cccnc6c5n4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C41H27N3/c1-3-8-28(9-4-1)30-13-17-32(18-14-30)38-26-36(37-24-23-35-22-21-34-12-7-25-42-40(34)41(35)44-37)27-39(43-38)33-19-15-31(16-20-33)29-10-5-2-6-11-29/h1-27H
InChIKeyAIVWYPZZFSRICP-UHFFFAOYSA-N
XLogP10.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.51
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-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline
CID 174201455
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
2-[6-(1,10-phenanthrolin-2-yl)-4-(4-pyridin-2-ylphenyl)-2-pyridinyl]-1,10-phenanthroline
CID 146474068
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]-1,10-phenanthroline
CID 142752628
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
2-[4-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568699
2-[3-(10-phenylanthracen-9-yl)-5-(4-pyrimidin-2-ylphenyl)phenyl]-1,10-phenanthroline
CID 142588778
4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 160846068
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline?
The IUPAC name of 2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline (CID 146474012) is 2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline?
The canonical SMILES for 2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline is c1ccc(-c2ccc(-c3cc(-c4ccc5ccc6cccnc6c5n4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline?
The InChIKey is AIVWYPZZFSRICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-3-8-28(9-4-1)30-13-17-32(18-14-30)38-26-36(37-24-23-35-22-21-34-12-7-25-42-40(34)41(35)44-37)27-39(43-38)33-19-15-31(16-20-33)29-10-5-2-6-11-29/h1-27H.
What are the key properties of 2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline?
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline has a molecular weight of 561.69 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline is sourced from PubChem (CID 146474012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).