2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline

C41H25N5 — CID 129265651

IUPAC2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)n5)nc4c3n2)cc1
InChIInChI=1S/C41H25N5/c1-3-8-26(9-4-1)32-22-18-28-14-16-30-20-24-36(45-40(30)38(28)43-32)34-12-7-13-35(42-34)37-25-21-31-17-15-29-19-23-33(27-10-5-2-6-11-27)44-39(29)41(31)46-37/h1-25H
InChIKeyMXWFEVJCDVNAKY-UHFFFAOYSA-N
MW587.69 g/mol
LogP9.94
Rot. Bonds4

About 2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline

2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline (PubChem CID 129265651) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
PubChem CID129265651
Molecular FormulaC41H25N5
Molecular Weight587.69 g/mol
Exact Mass587.21
IUPAC Name2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)n5)nc4c3n2)cc1
InChIInChI=1S/C41H25N5/c1-3-8-26(9-4-1)32-22-18-28-14-16-30-20-24-36(45-40(30)38(28)43-32)34-12-7-13-35(42-34)37-25-21-31-17-15-29-19-23-33(27-10-5-2-6-11-27)44-39(29)41(31)46-37/h1-25H
InChIKeyMXWFEVJCDVNAKY-UHFFFAOYSA-N
XLogP9.94
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
2-phenyl-9-(6-pyren-1-yl-2-pyridinyl)-1,10-phenanthroline
CID 121277741
2-phenyl-9-[3-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 138725055
2-phenyl-9-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-1,10-phenanthroline
CID 138725062
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-phenylquinolin-8-olate
CID 22660489
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
2-bromo-9-phenyl-1,10-phenanthroline
CID 159617256
2-[4-(6-phenanthridin-6-yl-2-pyridinyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 171832717
2-phenylquinolin-8-amine
CID 19955861

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline (CID 129265651) is 2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)n5)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline?
The InChIKey is MXWFEVJCDVNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5/c1-3-8-26(9-4-1)32-22-18-28-14-16-30-20-24-36(45-40(30)38(28)43-32)34-12-7-13-35(42-34)37-25-21-31-17-15-29-19-23-33(27-10-5-2-6-11-27)44-39(29)41(31)46-37/h1-25H.
What are the key properties of 2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline?
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline has a molecular weight of 587.69 g/mol, XLogP of 9.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline is sourced from PubChem (CID 129265651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).