5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene]

C29H40 — CID 145209550

IUPAC5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene]
SMILESCCc1cc2c(cc1C)C(C)(C)CC21CC(C)(C)c2cc(C(C)C)c(CC)cc21
InChIInChI=1S/C29H40/c1-10-20-13-25-23(12-19(20)5)27(6,7)16-29(25)17-28(8,9)24-15-22(18(3)4)21(11-2)14-26(24)29/h12-15,18H,10-11,16-17H2,1-9H3
InChIKeyRIFWXQKOVCDSCM-UHFFFAOYSA-N
MW388.64 g/mol
LogP7.89
Rot. Bonds3

About 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene]

5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene] (PubChem CID 145209550) has the molecular formula C29H40 and a molecular weight of 388.64 g/mol. Its IUPAC name is 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene].

Molecular Properties

Compound Name5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene]
PubChem CID145209550
Molecular FormulaC29H40
Molecular Weight388.64 g/mol
Exact Mass388.31
IUPAC Name5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene]
SMILESCCc1cc2c(cc1C)C(C)(C)CC21CC(C)(C)c2cc(C(C)C)c(CC)cc21
InChIInChI=1S/C29H40/c1-10-20-13-25-23(12-19(20)5)27(6,7)16-29(25)17-28(8,9)24-15-22(18(3)4)21(11-2)14-26(24)29/h12-15,18H,10-11,16-17H2,1-9H3
InChIKeyRIFWXQKOVCDSCM-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene] with MolForge

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Related Compounds

2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-
CID 77154
1-Methylfluorene
CID 15604
2-Methylfluorene
CID 15026
9,9-Dimethylfluorene
CID 78325
2-Ethyl-9H-fluorene
CID 274939
1,1,5,6-tetramethyl-2,3-dihydro-1H-indene
CID 523106
1H-Indene, 2,3-dihydro-1,1,2,3,3,5-hexamethyl-
CID 95520
1,3,5(10)-Estratriene
CID 150899
1,9-Dimethylfluorene
CID 28227
1-Methyl-3-phenylindane
CID 22924
1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-
CID 66469

Frequently Asked Questions

What is the IUPAC name of 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene]?
The IUPAC name of 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene] (CID 145209550) is 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene].
What is the SMILES notation for 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene]?
The canonical SMILES for 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene] is CCc1cc2c(cc1C)C(C)(C)CC21CC(C)(C)c2cc(C(C)C)c(CC)cc21.
What is the InChIKey of 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene]?
The InChIKey is RIFWXQKOVCDSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40/c1-10-20-13-25-23(12-19(20)5)27(6,7)16-29(25)17-28(8,9)24-15-22(18(3)4)21(11-2)14-26(24)29/h12-15,18H,10-11,16-17H2,1-9H3.
What are the key properties of 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene]?
5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene] has a molecular weight of 388.64 g/mol, XLogP of 7.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-diethyl-1,1,1',1',6-pentamethyl-6'-propan-2-yl-3,3'-spirobi[2H-indene] is sourced from PubChem (CID 145209550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).