(5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+)

C38H26N6Rh — CID 15942694

IUPAC(5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+)
SMILES[N-]=C1C(=[N-])c2c(ccc3ccccc23)-c2ccccc21.[Rh+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H10N2.2C10H8N2.Rh/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H;2*1-8H;/q-2;;;+2
InChIKeySYPJVPNWULSQPC-UHFFFAOYSA-N
MW669.57 g/mol
LogP8.52
Rot. Bonds2

About (5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+)

(5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+) (PubChem CID 15942694) has the molecular formula C38H26N6Rh and a molecular weight of 669.57 g/mol. Its IUPAC name is (5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+).

Molecular Properties

Compound Name(5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+)
PubChem CID15942694
Molecular FormulaC38H26N6Rh
Molecular Weight669.57 g/mol
Exact Mass669.13
IUPAC Name(5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+)
SMILES[N-]=C1C(=[N-])c2c(ccc3ccccc23)-c2ccccc21.[Rh+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H10N2.2C10H8N2.Rh/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H;2*1-8H;/q-2;;;+2
InChIKeySYPJVPNWULSQPC-UHFFFAOYSA-N
XLogP8.52
TPSA96.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.57
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+)?
The IUPAC name of (5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+) (CID 15942694) is (5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+).
What is the SMILES notation for (5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+)?
The canonical SMILES for (5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+) is [N-]=C1C(=[N-])c2c(ccc3ccccc23)-c2ccccc21.[Rh+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of (5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+)?
The InChIKey is SYPJVPNWULSQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2.2C10H8N2.Rh/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H;2*1-8H;/q-2;;;+2.
What are the key properties of (5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+)?
(5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+) has a molecular weight of 669.57 g/mol, XLogP of 8.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-azanidylidenechrysen-6-ylidene)azanide;bis(2-pyridin-2-ylpyridine);rhodium(2+) is sourced from PubChem (CID 15942694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).