3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole

C21H16N2 — CID 118297354

IUPAC3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole
SMILESc1ccc(N2CNc3c2c2ccccc2c2ccccc32)cc1
InChIInChI=1S/C21H16N2/c1-2-8-15(9-3-1)23-14-22-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)23/h1-13,22H,14H2
InChIKeyYWTGLFDNRXVTAI-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.51
Rot. Bonds1

About 3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole

3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole (PubChem CID 118297354) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole
PubChem CID118297354
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole
SMILESc1ccc(N2CNc3c2c2ccccc2c2ccccc32)cc1
InChIInChI=1S/C21H16N2/c1-2-8-15(9-3-1)23-14-22-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)23/h1-13,22H,14H2
InChIKeyYWTGLFDNRXVTAI-UHFFFAOYSA-N
XLogP5.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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5-chloro-3-phenyl-1,2-dihydrobenzimidazole
CID 174351589
CID 145327229
CID 145327229
2-chloro-7-phenyl-8,9-dihydropurine
CID 178075727
2-phenylphenanthro[9,10-c]pyrrole
CID 150501713
2,5,8,11,20,23,26,29-octazaheptacyclo[28.6.6.612,19.013,18.031,36.037,42.043,48]octatetraconta-1(36),12(48),13,15,17,19(43),30,32,34,37,39,41,44,46-tetradecaene
CID 102322081
3,14-diphenyl-3,5,14,16-tetrazatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene-4,15-dione
CID 102100934
2-methylidene-1-phenylpiperidine
CID 54477210
1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole]
CID 58249979
3-naphthalen-1-yl-1,2-dihydrobenzimidazole
CID 68549243
1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole
CID 66648186

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole?
The IUPAC name of 3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole (CID 118297354) is 3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole?
The canonical SMILES for 3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole is c1ccc(N2CNc3c2c2ccccc2c2ccccc32)cc1.
What is the InChIKey of 3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole?
The InChIKey is YWTGLFDNRXVTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-2-8-15(9-3-1)23-14-22-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)23/h1-13,22H,14H2.
What are the key properties of 3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole?
3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole has a molecular weight of 296.37 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2-dihydrophenanthro[9,10-d]imidazole is sourced from PubChem (CID 118297354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).