1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium

C25H32N+ — CID 102599862

IUPAC1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium
SMILESCCCC1(CCC)c2ccccc2-c2cc3c(cc21)[N+](C)=C(C)C3(C)C
InChIInChI=1S/C25H32N/c1-7-13-25(14-8-2)20-12-10-9-11-18(20)19-15-22-23(16-21(19)25)26(6)17(3)24(22,4)5/h9-12,15-16H,7-8,13-14H2,1-6H3/q+1
InChIKeyJFCUBJMZSCCDSW-UHFFFAOYSA-N
MW346.54 g/mol
LogP6.58
Rot. Bonds4

About 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium

1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium (PubChem CID 102599862) has the molecular formula C25H32N+ and a molecular weight of 346.54 g/mol. Its IUPAC name is 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium.

Molecular Properties

Compound Name1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium
PubChem CID102599862
Molecular FormulaC25H32N+
Molecular Weight346.54 g/mol
Exact Mass346.25
IUPAC Name1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium
SMILESCCCC1(CCC)c2ccccc2-c2cc3c(cc21)[N+](C)=C(C)C3(C)C
InChIInChI=1S/C25H32N/c1-7-13-25(14-8-2)20-12-10-9-11-18(20)19-15-22-23(16-21(19)25)26(6)17(3)24(22,4)5/h9-12,15-16H,7-8,13-14H2,1-6H3/q+1
InChIKeyJFCUBJMZSCCDSW-UHFFFAOYSA-N
XLogP6.58
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
1,2,3,3-tetramethylindol-1-ium chloride
CID 12524874
9-ethyl-9-propylfluorene
CID 123584741
2-phenyl-9,9-dipropylfluorene
CID 154114384
3-[9,9-bis(3-methylbutyl)fluoren-2-yl]-2,7-bis[7-[9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-6-(9,9-dipropylfluoren-2-yl)-9,9-dimethylfluorene
CID 59245629
10,10-dibutylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione
CID 102139289
9-propyl-9-(3,3,3-trifluoropropyl)fluorene
CID 118371894
9,9-dipropyl-1H-indeno[2,1-f]indole
CID 59685316
7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
CID 101489887
1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone
CID 129094188
9-methyl-9-propylfluorene
CID 13283188
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium?
The IUPAC name of 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium (CID 102599862) is 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium.
What is the SMILES notation for 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium?
The canonical SMILES for 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium is CCCC1(CCC)c2ccccc2-c2cc3c(cc21)[N+](C)=C(C)C3(C)C.
What is the InChIKey of 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium?
The InChIKey is JFCUBJMZSCCDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N/c1-7-13-25(14-8-2)20-12-10-9-11-18(20)19-15-22-23(16-21(19)25)26(6)17(3)24(22,4)5/h9-12,15-16H,7-8,13-14H2,1-6H3/q+1.
What are the key properties of 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium?
1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium has a molecular weight of 346.54 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethyl-9,9-dipropylindeno[1,2-f]indol-1-ium is sourced from PubChem (CID 102599862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).