nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene

C32H18 — CID 11211803

IUPACnonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene
SMILESc1cc2c3c(cccc3c1)C13c4cccc5cccc(c45)C21c1cccc2cccc3c12
InChIInChI=1S/C32H18/c1-7-19-8-2-14-23-28(19)22(13-1)31-24-15-3-9-20-11-5-17-26(29(20)24)32(23,31)27-18-6-12-21-10-4-16-25(31)30(21)27/h1-18H
InChIKeyKENDSAQZHUZUET-UHFFFAOYSA-N
MW402.50 g/mol
LogP7.46
Rot. Bonds

About nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene

nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene (PubChem CID 11211803) has the molecular formula C32H18 and a molecular weight of 402.50 g/mol. Its IUPAC name is nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene.

Molecular Properties

Compound Namenonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene
PubChem CID11211803
Molecular FormulaC32H18
Molecular Weight402.50 g/mol
Exact Mass402.14
IUPAC Namenonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene
SMILESc1cc2c3c(cccc3c1)C13c4cccc5cccc(c45)C21c1cccc2cccc3c12
InChIInChI=1S/C32H18/c1-7-19-8-2-14-23-28(19)22(13-1)31-24-15-3-9-20-11-5-17-26(29(20)24)32(23,31)27-18-6-12-21-10-4-16-25(31)30(21)27/h1-18H
InChIKeyKENDSAQZHUZUET-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene with MolForge

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Related Compounds

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CID 9131
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CID 130669
Rubicene
CID 67454
Indeno[1,2,3-fg]naphthacene
CID 164559
Decacyclene
CID 67448
Diindeno(1,2,3-cd:1',2',3'-lm)perylene
CID 96712
Dibenzo[j,l]fluoranthene
CID 6428082
Naphth(2,1-a)aceanthrylene
CID 156610
Dibenzo(a,l)fluoranthene
CID 13766933
Naphtho[2,1-j]fluoranthene
CID 13766938
Truxene
CID 68355

Frequently Asked Questions

What is the IUPAC name of nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene?
The IUPAC name of nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene (CID 11211803) is nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene.
What is the SMILES notation for nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene?
The canonical SMILES for nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene is c1cc2c3c(cccc3c1)C13c4cccc5cccc(c45)C21c1cccc2cccc3c12.
What is the InChIKey of nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene?
The InChIKey is KENDSAQZHUZUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18/c1-7-19-8-2-14-23-28(19)22(13-1)31-24-15-3-9-20-11-5-17-26(29(20)24)32(23,31)27-18-6-12-21-10-4-16-25(31)30(21)27/h1-18H.
What are the key properties of nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene?
nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene has a molecular weight of 402.50 g/mol, XLogP of 7.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene is sourced from PubChem (CID 11211803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).