5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole

C35H45NO — CID 122453529

IUPAC5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole
SMILESCc1ccc2c(c1)c1c(n2C)-c2ccccc2C1C(C)(C)C1C=CC(CCCCCCOC(C)(C)C)=C1
InChIInChI=1S/C35H45NO/c1-24-17-20-30-29(22-24)31-32(27-15-11-12-16-28(27)33(31)36(30)7)35(5,6)26-19-18-25(23-26)14-10-8-9-13-21-37-34(2,3)4/h11-12,15-20,22-23,26,32H,8-10,13-14,21H2,1-7H3
InChIKeyYACIIBDIWPYURW-UHFFFAOYSA-N
MW495.75 g/mol
LogP9.50
Rot. Bonds9

About 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole

5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole (PubChem CID 122453529) has the molecular formula C35H45NO and a molecular weight of 495.75 g/mol. Its IUPAC name is 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole.

Molecular Properties

Compound Name5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole
PubChem CID122453529
Molecular FormulaC35H45NO
Molecular Weight495.75 g/mol
Exact Mass495.35
IUPAC Name5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole
SMILESCc1ccc2c(c1)c1c(n2C)-c2ccccc2C1C(C)(C)C1C=CC(CCCCCCOC(C)(C)C)=C1
InChIInChI=1S/C35H45NO/c1-24-17-20-30-29(22-24)31-32(27-15-11-12-16-28(27)33(31)36(30)7)35(5,6)26-19-18-25(23-26)14-10-8-9-13-21-37-34(2,3)4/h11-12,15-20,22-23,26,32H,8-10,13-14,21H2,1-7H3
InChIKeyYACIIBDIWPYURW-UHFFFAOYSA-N
XLogP9.50
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.75
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole with MolForge

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Related Compounds

methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 140721281
carbanide;dichlorozirconium(2+);(5,8-dimethyl-10H-indeno[1,2-b]indol-10-yl)-[2-[(2-fluorophenyl)methyl]-9H-fluoren-9-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 161205659
3-(8,8-dimethylnonyl)-N-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]cyclopenta-2,4-dien-1-amine
CID 145170288
methyl-(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)silane
CID 140722452
1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 168786477
trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane
CID 178090504
9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 100964973
carbanide;dichlorozirconium(2+);(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-(2-hexyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 162290432
dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 168786516
dichlorozirconium(2+);diethyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]silane
CID 168786523
N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine
CID 140733141
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole?
The IUPAC name of 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole (CID 122453529) is 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole.
What is the SMILES notation for 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole?
The canonical SMILES for 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole is Cc1ccc2c(c1)c1c(n2C)-c2ccccc2C1C(C)(C)C1C=CC(CCCCCCOC(C)(C)C)=C1.
What is the InChIKey of 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole?
The InChIKey is YACIIBDIWPYURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45NO/c1-24-17-20-30-29(22-24)31-32(27-15-11-12-16-28(27)33(31)36(30)7)35(5,6)26-19-18-25(23-26)14-10-8-9-13-21-37-34(2,3)4/h11-12,15-20,22-23,26,32H,8-10,13-14,21H2,1-7H3.
What are the key properties of 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole?
5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole has a molecular weight of 495.75 g/mol, XLogP of 9.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-10-[2-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]-10H-indeno[1,2-b]indole is sourced from PubChem (CID 122453529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).