2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline

C36H22N2 — CID 170166669

IUPAC2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)nc4c3n2)cc1
InChIInChI=1S/C36H22N2/c1-2-8-23(9-3-1)33-20-17-24-14-15-25-18-21-34(38-36(25)35(24)37-33)26-16-19-31-29-12-5-4-10-27(29)28-11-6-7-13-30(28)32(31)22-26/h1-22H
InChIKeyKBODPAIFVSJWLE-UHFFFAOYSA-N
MW482.59 g/mol
LogP9.58
Rot. Bonds2

About 2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline

2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline (PubChem CID 170166669) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
PubChem CID170166669
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)nc4c3n2)cc1
InChIInChI=1S/C36H22N2/c1-2-8-23(9-3-1)33-20-17-24-14-15-25-18-21-34(38-36(25)35(24)37-33)26-16-19-31-29-12-5-4-10-27(29)28-11-6-7-13-30(28)32(31)22-26/h1-22H
InChIKeyKBODPAIFVSJWLE-UHFFFAOYSA-N
XLogP9.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 59.58
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

2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167600
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
2-(3-pyrimidin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167637
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134410345
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
2-[4-(20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 121480557
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-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline (CID 170166669) is 2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline?
The InChIKey is KBODPAIFVSJWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c1-2-8-23(9-3-1)33-20-17-24-14-15-25-18-21-34(38-36(25)35(24)37-33)26-16-19-31-29-12-5-4-10-27(29)28-11-6-7-13-30(28)32(31)22-26/h1-22H.
What are the key properties of 2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline?
2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline has a molecular weight of 482.59 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline is sourced from PubChem (CID 170166669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).