15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene

C32H34 — CID 54376267

IUPAC15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene
SMILESCC(C)(C)C1=CC(c2c3c(c(C(C)(C)C)c4c2Cc2ccccc2-4)CC3)c2ccccc21
InChIInChI=1S/C32H34/c1-31(2,3)27-18-25(21-13-9-10-14-22(21)27)28-23-15-16-24(23)30(32(4,5)6)29-20-12-8-7-11-19(20)17-26(28)29/h7-14,18,25H,15-17H2,1-6H3
InChIKeyFLUYGVQZDXSOLY-UHFFFAOYSA-N
MW418.62 g/mol
LogP8.23
Rot. Bonds1

About 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene

15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene (PubChem CID 54376267) has the molecular formula C32H34 and a molecular weight of 418.62 g/mol. Its IUPAC name is 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene.

Molecular Properties

Compound Name15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene
PubChem CID54376267
Molecular FormulaC32H34
Molecular Weight418.62 g/mol
Exact Mass418.27
IUPAC Name15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene
SMILESCC(C)(C)C1=CC(c2c3c(c(C(C)(C)C)c4c2Cc2ccccc2-4)CC3)c2ccccc21
InChIInChI=1S/C32H34/c1-31(2,3)27-18-25(21-13-9-10-14-22(21)27)28-23-15-16-24(23)30(32(4,5)6)29-20-12-8-7-11-19(20)17-26(28)29/h7-14,18,25H,15-17H2,1-6H3
InChIKeyFLUYGVQZDXSOLY-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene 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

(3-tert-butyl-1H-inden-1-yl)-trimethylsilane
CID 134888721
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
3-methyl-1-[2-(3-methyl-1H-inden-2-yl)propan-2-yl]-1H-indene
CID 87673517
tetracyclo[11.7.0.02,10.03,8]icosa-1(13),2(10),3,5,7,11-hexaene
CID 91804905
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene
CID 123589804
9H-fluorene;9H-fluoren-9-ol
CID 68734201
1-tert-butyl-2-decyl-9H-fluorene
CID 160798357
1,3-ditert-butyl-9H-fluorene
CID 175163483
1,2-diethoxy-3,4-dipropyl-9H-fluorene
CID 150425697
2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane
CID 151836877
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
bis(1,2,3,4-tetrabromo-9H-fluorene);carbonate
CID 19940173

Frequently Asked Questions

What is the IUPAC name of 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene?
The IUPAC name of 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene (CID 54376267) is 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene.
What is the SMILES notation for 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene?
The canonical SMILES for 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene is CC(C)(C)C1=CC(c2c3c(c(C(C)(C)C)c4c2Cc2ccccc2-4)CC3)c2ccccc21.
What is the InChIKey of 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene?
The InChIKey is FLUYGVQZDXSOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34/c1-31(2,3)27-18-25(21-13-9-10-14-22(21)27)28-23-15-16-24(23)30(32(4,5)6)29-20-12-8-7-11-19(20)17-26(28)29/h7-14,18,25H,15-17H2,1-6H3.
What are the key properties of 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene?
15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene has a molecular weight of 418.62 g/mol, XLogP of 8.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tert-butyl-10-(3-tert-butyl-1H-inden-1-yl)tetracyclo[7.6.0.02,7.011,14]pentadeca-1(15),2,4,6,9,11(14)-hexaene is sourced from PubChem (CID 54376267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).