11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline

C28H21N — CID 171734741

IUPAC11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline
SMILESCC1(C)c2ccccc2-c2ccc3c(ccc4c(-c5ccccc5)nccc43)c21
InChIInChI=1S/C28H21N/c1-28(2)25-11-7-6-10-21(25)23-13-12-19-20-16-17-29-27(18-8-4-3-5-9-18)24(20)15-14-22(19)26(23)28/h3-17H,1-2H3
InChIKeyNKWJPUORMHRAAL-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.36
Rot. Bonds1

About 11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline

11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline (PubChem CID 171734741) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline.

Molecular Properties

Compound Name11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline
PubChem CID171734741
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline
SMILESCC1(C)c2ccccc2-c2ccc3c(ccc4c(-c5ccccc5)nccc43)c21
InChIInChI=1S/C28H21N/c1-28(2)25-11-7-6-10-21(25)23-13-12-19-20-16-17-29-27(18-8-4-3-5-9-18)24(20)15-14-22(19)26(23)28/h3-17H,1-2H3
InChIKeyNKWJPUORMHRAAL-UHFFFAOYSA-N
XLogP7.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11,11-dimethyl-1-(3-methylphenyl)-9-(trifluoromethyl)fluoreno[2,1-f]isoquinoline
CID 171734659
1-[11,11-dimethyl-1-(3-methylphenyl)fluoreno[2,1-f]isoquinolin-9-yl]ethanone
CID 171734748
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 144670680
5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
CID 58142415
1-(9,9-dimethylfluoren-1-yl)isoquinoline
CID 90835059
16,16-dimethyl-5-(4-phenylnaphthalen-1-yl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 123876471
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747180
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
2-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-3-phenylbenzo[f]quinoxaline
CID 164721653
2-[4-(11,11-dimethylbenzo[a]fluoren-5-yl)naphthalen-1-yl]-4-phenylquinazoline
CID 155465517

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline?
The IUPAC name of 11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline (CID 171734741) is 11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline.
What is the SMILES notation for 11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline?
The canonical SMILES for 11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline is CC1(C)c2ccccc2-c2ccc3c(ccc4c(-c5ccccc5)nccc43)c21.
What is the InChIKey of 11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline?
The InChIKey is NKWJPUORMHRAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-28(2)25-11-7-6-10-21(25)23-13-12-19-20-16-17-29-27(18-8-4-3-5-9-18)24(20)15-14-22(19)26(23)28/h3-17H,1-2H3.
What are the key properties of 11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline?
11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline has a molecular weight of 371.48 g/mol, XLogP of 7.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline is sourced from PubChem (CID 171734741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).