6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine

C36H22N2 — CID 176818864

IUPAC6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine
SMILESc1ccc2c(c1)nc(-c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cn1)c1ccccc12
InChIInChI=1S/C36H22N2/c1-2-11-27-25(9-1)26-10-3-4-12-28(26)33-21-23(17-19-30(27)33)24-18-20-35(37-22-24)36-32-15-6-5-13-29(32)31-14-7-8-16-34(31)38-36/h1-22H
InChIKeyBJTRNGSDVONARC-UHFFFAOYSA-N
MW482.59 g/mol
LogP9.58
Rot. Bonds2

About 6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine

6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine (PubChem CID 176818864) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine.

Molecular Properties

Compound Name6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine
PubChem CID176818864
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine
SMILESc1ccc2c(c1)nc(-c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cn1)c1ccccc12
InChIInChI=1S/C36H22N2/c1-2-11-27-25(9-1)26-10-3-4-12-28(26)33-21-23(17-19-30(27)33)24-18-20-35(37-22-24)36-32-15-6-5-13-29(32)31-14-7-8-16-34(31)38-36/h1-22H
InChIKeyBJTRNGSDVONARC-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

6-(5-dibenzofuran-2-yl-2-pyridinyl)phenanthridine
CID 176818950
6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176819218
6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819149
6-[5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819007
6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176819205
6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine
CID 176818956
6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine
CID 176818947
6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine
CID 176819030
6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine
CID 176818963
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
2-phenyl-4-(4-phenylphenyl)-6-[7-(5-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]-1,3,5-triazine
CID 134380984
3-[5-(6-phenylnaphthalen-2-yl)-2-pyridinyl]quinoline
CID 170293247

Frequently Asked Questions

What is the IUPAC name of 6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine?
The IUPAC name of 6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine (CID 176818864) is 6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine.
What is the SMILES notation for 6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine?
The canonical SMILES for 6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine is c1ccc2c(c1)nc(-c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cn1)c1ccccc12.
What is the InChIKey of 6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine?
The InChIKey is BJTRNGSDVONARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c1-2-11-27-25(9-1)26-10-3-4-12-28(26)33-21-23(17-19-30(27)33)24-18-20-35(37-22-24)36-32-15-6-5-13-29(32)31-14-7-8-16-34(31)38-36/h1-22H.
What are the key properties of 6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine?
6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine 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 6-(5-triphenylen-2-yl-2-pyridinyl)phenanthridine is sourced from PubChem (CID 176818864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).