3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole

C23H20N2 — CID 140606308

IUPAC3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole
SMILESCc1cccc(C)c1N1C=NC2c3ccccc3-c3ccccc3C21
InChIInChI=1S/C23H20N2/c1-15-8-7-9-16(2)22(15)25-14-24-21-19-12-5-3-10-17(19)18-11-4-6-13-20(18)23(21)25/h3-14,21,23H,1-2H3
InChIKeyWQMGOABCTVTXQP-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.61
Rot. Bonds1

About 3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole

3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole (PubChem CID 140606308) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole
PubChem CID140606308
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole
SMILESCc1cccc(C)c1N1C=NC2c3ccccc3-c3ccccc3C21
InChIInChI=1S/C23H20N2/c1-15-8-7-9-16(2)22(15)25-14-24-21-19-12-5-3-10-17(19)18-11-4-6-13-20(18)23(21)25/h3-14,21,23H,1-2H3
InChIKeyWQMGOABCTVTXQP-UHFFFAOYSA-N
XLogP5.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(9H-fluoren-9-yl)-6-methylphenyl]imidazole
CID 174625556
1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
CID 13306900
1,9-dimethyl-9H-fluorene
CID 28227
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
(14S,15S)-14,15-dibromo-3-methyltetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 95240162
9-ethyl-1-methyl-9H-fluorene
CID 15584367
1-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)phenyl]pyrazole
CID 59661638
(1-methyl-9H-fluoren-9-yl)boronic acid
CID 54300032
(3aS,11bR)-1,2,3-trimethyl-3a,11b-dihydrophenanthro[9,10-d]imidazol-3-ium
CID 176815409
3-methyl-11-phenyl-1,9,12,13-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,11,15,17,19-octaene-10,21-dione
CID 56806824
1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium
CID 123474758
9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene
CID 167648969

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole?
The IUPAC name of 3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole (CID 140606308) is 3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole?
The canonical SMILES for 3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole is Cc1cccc(C)c1N1C=NC2c3ccccc3-c3ccccc3C21.
What is the InChIKey of 3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole?
The InChIKey is WQMGOABCTVTXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-15-8-7-9-16(2)22(15)25-14-24-21-19-12-5-3-10-17(19)18-11-4-6-13-20(18)23(21)25/h3-14,21,23H,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole?
3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole has a molecular weight of 324.43 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole is sourced from PubChem (CID 140606308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).