12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C28H28 — CID 154685370

IUPAC12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCC(C)C1(C(C)(C)C)c2c(ccc3ccccc23)-c2ccc3ccccc3c21
InChIInChI=1S/C28H28/c1-18(2)28(27(3,4)5)25-21-12-8-6-10-19(21)14-16-23(25)24-17-15-20-11-7-9-13-22(20)26(24)28/h6-18H,1-5H3
InChIKeyFIPOBTUEVYFAIF-UHFFFAOYSA-N
MW364.53 g/mol
LogP7.96
Rot. Bonds1

About 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 154685370) has the molecular formula C28H28 and a molecular weight of 364.53 g/mol. Its IUPAC name is 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID154685370
Molecular FormulaC28H28
Molecular Weight364.53 g/mol
Exact Mass364.22
IUPAC Name12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCC(C)C1(C(C)(C)C)c2c(ccc3ccccc23)-c2ccc3ccccc3c21
InChIInChI=1S/C28H28/c1-18(2)28(27(3,4)5)25-21-12-8-6-10-19(21)14-16-23(25)24-17-15-20-11-7-9-13-22(20)26(24)28/h6-18H,1-5H3
InChIKeyFIPOBTUEVYFAIF-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene 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

11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene
CID 144559923
2-(11,11-dimethylbenzo[a]fluoren-10-yl)pyridine
CID 168745083
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-(2-propan-2-ylinden-2-yl)naphthalene
CID 173106236
25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742066
13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102516604
11,11-dimethylbenzo[a]fluoren-9-ol
CID 129259238
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516

Frequently Asked Questions

What is the IUPAC name of 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 154685370) is 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is CC(C)C1(C(C)(C)C)c2c(ccc3ccccc23)-c2ccc3ccccc3c21.
What is the InChIKey of 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is FIPOBTUEVYFAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28/c1-18(2)28(27(3,4)5)25-21-12-8-6-10-19(21)14-16-23(25)24-17-15-20-11-7-9-13-22(20)26(24)28/h6-18H,1-5H3.
What are the key properties of 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 364.53 g/mol, XLogP of 7.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 154685370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).