nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene

C32H24 — CID 4868281

IUPACnonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene
SMILESc1ccc2c(c1)C13CCC14c1ccccc1C1(CCC21c1ccccc13)c1ccccc14
InChIInChI=1S/C32H24/c1-2-10-22-21(9-1)29-17-18-31(29)25-13-5-7-15-27(25)32(28-16-8-6-14-26(28)31)20-19-30(22,32)24-12-4-3-11-23(24)29/h1-16H,17-20H2
InChIKeyNXAVYKCJWYMZBA-UHFFFAOYSA-N
MW408.54 g/mol
LogP6.76
Rot. Bonds

About nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene

nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene (PubChem CID 4868281) has the molecular formula C32H24 and a molecular weight of 408.54 g/mol. Its IUPAC name is nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene.

Molecular Properties

Compound Namenonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene
PubChem CID4868281
Molecular FormulaC32H24
Molecular Weight408.54 g/mol
Exact Mass408.19
IUPAC Namenonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene
SMILESc1ccc2c(c1)C13CCC14c1ccccc1C1(CCC21c1ccccc13)c1ccccc14
InChIInChI=1S/C32H24/c1-2-10-22-21(9-1)29-17-18-31(29)25-13-5-7-15-27(25)32(28-16-8-6-14-26(28)31)20-19-30(22,32)24-12-4-3-11-23(24)29/h1-16H,17-20H2
InChIKeyNXAVYKCJWYMZBA-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene with MolForge

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Related Compounds

Rubrene
CID 68203
1,3,6,8-Tetraphenylpyrene
CID 256832
1,2,3,4-Tetraphenylnaphthalene
CID 69783
Dibenzo[a,rst]naphtho[8,1,2-cde]pentaphene
CID 136015
9,10-Di(1-naphthyl)anthracene
CID 259845
Benzo(B)biphenylene
CID 3333137
6,13-Diphenylpentacene
CID 11201250
Dibenzo(m,pqr)naptho(1,2,3,4-tuv)picene
CID 136013
Tetrabenzo(de,hi,op,st)pentacene
CID 136016
9,10-Bis(2-naphthyl)anthracene
CID 21881242
2-tert-Butyl-9,10-di(naphth-2-yl)anthracene
CID 21896096
2,8-Di(t-butyl)-5,11-di(4-(t-butyl)phenyl)-6,12-diphenylnaphthacene
CID 23576810

Frequently Asked Questions

What is the IUPAC name of nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene?
The IUPAC name of nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene (CID 4868281) is nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene.
What is the SMILES notation for nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene?
The canonical SMILES for nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene is c1ccc2c(c1)C13CCC14c1ccccc1C1(CCC21c1ccccc13)c1ccccc14.
What is the InChIKey of nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene?
The InChIKey is NXAVYKCJWYMZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24/c1-2-10-22-21(9-1)29-17-18-31(29)25-13-5-7-15-27(25)32(28-16-8-6-14-26(28)31)20-19-30(22,32)24-12-4-3-11-23(24)29/h1-16H,17-20H2.
What are the key properties of nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene?
nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene has a molecular weight of 408.54 g/mol, XLogP of 6.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[12.6.6.64,11.01,4.05,10.011,14.015,20.021,26.027,32]dotriaconta-5,7,9,15,17,19,21,23,25,27,29,31-dodecaene is sourced from PubChem (CID 4868281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).