1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium

C30H32N+ — CID 167354370

IUPAC1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium
SMILESCc1cc(C)c(C)c(-c2c3c(c4c(C)cc(C)cc4[n+]2C)-c2ccccc2C3(C)C)c1
InChIInChI=1S/C30H32N/c1-17-13-19(3)21(5)23(15-17)29-28-27(22-11-9-10-12-24(22)30(28,6)7)26-20(4)14-18(2)16-25(26)31(29)8/h9-16H,1-8H3/q+1
InChIKeyUZFDBSHKPHUBHI-UHFFFAOYSA-N
MW406.59 g/mol
LogP7.18
Rot. Bonds1

About 1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium

1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium (PubChem CID 167354370) has the molecular formula C30H32N+ and a molecular weight of 406.59 g/mol. Its IUPAC name is 1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium.

Molecular Properties

Compound Name1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium
PubChem CID167354370
Molecular FormulaC30H32N+
Molecular Weight406.59 g/mol
Exact Mass406.25
IUPAC Name1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium
SMILESCc1cc(C)c(C)c(-c2c3c(c4c(C)cc(C)cc4[n+]2C)-c2ccccc2C3(C)C)c1
InChIInChI=1S/C30H32N/c1-17-13-19(3)21(5)23(15-17)29-28-27(22-11-9-10-12-24(22)30(28,6)7)26-20(4)14-18(2)16-25(26)31(29)8/h9-16H,1-8H3/q+1
InChIKeyUZFDBSHKPHUBHI-UHFFFAOYSA-N
XLogP7.18
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.59
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,7,13,15,18,18-hexamethylspiro[10-azoniahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene-9,6'-pyrido[2,1-a]isoindol-5-ium]
CID 167354490
2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene
CID 159155422
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266614
ethane;4,9,9-trimethylfluorene
CID 123917181
9,9-dimethyl-2-(2,4,6-trimethylphenyl)fluorene
CID 176635457
1',3'-dimethyl-9,9'-spirobi[fluorene]
CID 169054935
1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266577
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848
5-methyl-6-(2,3,5-trimethylphenyl)spiro[9,10-dihydro-7H-phenanthridin-5-ium-8,1'-cyclohexane]
CID 153452485
9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene
CID 164755349

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium?
The IUPAC name of 1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium (CID 167354370) is 1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium.
What is the SMILES notation for 1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium?
The canonical SMILES for 1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium is Cc1cc(C)c(C)c(-c2c3c(c4c(C)cc(C)cc4[n+]2C)-c2ccccc2C3(C)C)c1.
What is the InChIKey of 1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium?
The InChIKey is UZFDBSHKPHUBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N/c1-17-13-19(3)21(5)23(15-17)29-28-27(22-11-9-10-12-24(22)30(28,6)7)26-20(4)14-18(2)16-25(26)31(29)8/h9-16H,1-8H3/q+1.
What are the key properties of 1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium?
1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium has a molecular weight of 406.59 g/mol, XLogP of 7.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,7-pentamethyl-6-(2,3,5-trimethylphenyl)indeno[2,1-c]quinolin-5-ium is sourced from PubChem (CID 167354370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).