1-phenanthridin-6-ylphenanthridine

C26H16N2 — CID 174646632

IUPAC1-phenanthridin-6-ylphenanthridine
SMILESc1ccc2c(c1)cnc1cccc(-c3nc4ccccc4c4ccccc34)c12
InChIInChI=1S/C26H16N2/c1-2-9-18-17(8-1)16-27-24-15-7-13-22(25(18)24)26-21-12-4-3-10-19(21)20-11-5-6-14-23(20)28-26/h1-16H
InChIKeyIXYNPGKKEQBAOP-UHFFFAOYSA-N
MW356.43 g/mol
LogP6.76
Rot. Bonds1

About 1-phenanthridin-6-ylphenanthridine

1-phenanthridin-6-ylphenanthridine (PubChem CID 174646632) has the molecular formula C26H16N2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-phenanthridin-6-ylphenanthridine.

Molecular Properties

Compound Name1-phenanthridin-6-ylphenanthridine
PubChem CID174646632
Molecular FormulaC26H16N2
Molecular Weight356.43 g/mol
Exact Mass356.13
IUPAC Name1-phenanthridin-6-ylphenanthridine
SMILESc1ccc2c(c1)cnc1cccc(-c3nc4ccccc4c4ccccc34)c12
InChIInChI=1S/C26H16N2/c1-2-9-18-17(8-1)16-27-24-15-7-13-22(25(18)24)26-21-12-4-3-10-19(21)20-11-5-6-14-23(20)28-26/h1-16H
InChIKeyIXYNPGKKEQBAOP-UHFFFAOYSA-N
XLogP6.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 56.76
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

1-(5-methyl-2-pyridinyl)phenanthridine
CID 118552189
phenanthridine-1-thiol
CID 135666738
phenanthridine
CID 9189
1-bromophenanthridine;hydrate
CID 175162345
phenanthridine;platinum(2+)
CID 23616726
3-phenanthridin-6-ylbenzene-1,2-diamine
CID 68807409
2-phenanthridin-1-ylacetic acid
CID 141175956
10-(10-phenylanthracen-9-yl)-9,15-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 129037727
1-(2-bromoethyl)phenanthridine
CID 67188154
phenanthridin-1-yl perchlorate
CID 88809375
3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
CID 155792785
6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine
CID 176819030

Frequently Asked Questions

What is the IUPAC name of 1-phenanthridin-6-ylphenanthridine?
The IUPAC name of 1-phenanthridin-6-ylphenanthridine (CID 174646632) is 1-phenanthridin-6-ylphenanthridine.
What is the SMILES notation for 1-phenanthridin-6-ylphenanthridine?
The canonical SMILES for 1-phenanthridin-6-ylphenanthridine is c1ccc2c(c1)cnc1cccc(-c3nc4ccccc4c4ccccc34)c12.
What is the InChIKey of 1-phenanthridin-6-ylphenanthridine?
The InChIKey is IXYNPGKKEQBAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2/c1-2-9-18-17(8-1)16-27-24-15-7-13-22(25(18)24)26-21-12-4-3-10-19(21)20-11-5-6-14-23(20)28-26/h1-16H.
What are the key properties of 1-phenanthridin-6-ylphenanthridine?
1-phenanthridin-6-ylphenanthridine has a molecular weight of 356.43 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenanthridin-6-ylphenanthridine is sourced from PubChem (CID 174646632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).