molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol

C21H17MoN2O- — CID 162488894

IUPACmolybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol
SMILESOc1[c-]cc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.[Mo]
InChIInChI=1S/C21H17N2O.Mo/c24-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-22-18(17)9-10-19(20)23-21;/h5-7,9-12,23-24H,1-4H2;/q-1;
InChIKeyGMJFYKFSPNBINW-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.77
Rot. Bonds1

About molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol

molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol (PubChem CID 162488894) has the molecular formula C21H17MoN2O- and a molecular weight of 409.32 g/mol. Its IUPAC name is molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol.

Molecular Properties

Compound Namemolybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol
PubChem CID162488894
Molecular FormulaC21H17MoN2O-
Molecular Weight409.32 g/mol
Exact Mass411.04
IUPAC Namemolybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol
SMILESOc1[c-]cc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.[Mo]
InChIInChI=1S/C21H17N2O.Mo/c24-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-22-18(17)9-10-19(20)23-21;/h5-7,9-12,23-24H,1-4H2;/q-1;
InChIKeyGMJFYKFSPNBINW-UHFFFAOYSA-N
XLogP4.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol?
The IUPAC name of molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol (CID 162488894) is molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol.
What is the SMILES notation for molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol?
The canonical SMILES for molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol is Oc1[c-]cc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.[Mo].
What is the InChIKey of molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol?
The InChIKey is GMJFYKFSPNBINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N2O.Mo/c24-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-22-18(17)9-10-19(20)23-21;/h5-7,9-12,23-24H,1-4H2;/q-1;.
What are the key properties of molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol?
molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol has a molecular weight of 409.32 g/mol, XLogP of 4.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-6-id-1-ol is sourced from PubChem (CID 162488894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).