pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene

C32H24 — CID 11025931

IUPACpentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene
SMILESC1=C\c2cccc(c2)/C=C\c2cccc(c2)/C=C\c2cccc(c2)/C=C\c2cccc/1c2
InChIInChI=1S/C32H24/c1-5-25-13-15-27-7-2-9-29(22-27)17-19-31-11-4-12-32(24-31)20-18-30-10-3-8-28(23-30)16-14-26(6-1)21-25/h1-24H/b15-13-,16-14-,19-17-,20-18-
InChIKeyQNBHDAYVKIUUBA-WLYXFYDPSA-N
MW408.54 g/mol
LogP8.68
Rot. Bonds

About pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene

pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene (PubChem CID 11025931) has the molecular formula C32H24 and a molecular weight of 408.54 g/mol. Its IUPAC name is pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene.

Molecular Properties

Compound Namepentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene
PubChem CID11025931
Molecular FormulaC32H24
Molecular Weight408.54 g/mol
Exact Mass408.19
IUPAC Namepentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene
SMILESC1=C\c2cccc(c2)/C=C\c2cccc(c2)/C=C\c2cccc(c2)/C=C\c2cccc/1c2
InChIInChI=1S/C32H24/c1-5-25-13-15-27-7-2-9-29(22-27)17-19-31-11-4-12-32(24-31)20-18-30-10-3-8-28(23-30)16-14-26(6-1)21-25/h1-24H/b15-13-,16-14-,19-17-,20-18-
InChIKeyQNBHDAYVKIUUBA-WLYXFYDPSA-N
XLogP8.68
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 ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene with MolForge

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Related Compounds

Benzo[a]pyrene
CID 2336
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119
M-Terphenyl
CID 7076
DIBENZ(a,h)ANTHRACENE
CID 5889
Dibenzo(a,i)pyrene
CID 9106

Frequently Asked Questions

What is the IUPAC name of pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene?
The IUPAC name of pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene (CID 11025931) is pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene.
What is the SMILES notation for pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene?
The canonical SMILES for pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene is C1=C\c2cccc(c2)/C=C\c2cccc(c2)/C=C\c2cccc(c2)/C=C\c2cccc/1c2.
What is the InChIKey of pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene?
The InChIKey is QNBHDAYVKIUUBA-WLYXFYDPSA-N. The full InChI is InChI=1S/C32H24/c1-5-25-13-15-27-7-2-9-29(22-27)17-19-31-11-4-12-32(24-31)20-18-30-10-3-8-28(23-30)16-14-26(6-1)21-25/h1-24H/b15-13-,16-14-,19-17-,20-18-.
What are the key properties of pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene?
pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene has a molecular weight of 408.54 g/mol, XLogP of 8.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),2,4(32),5,7,9,11(31),12,14,16,18,20,22(30),23,25,27-hexadecaene is sourced from PubChem (CID 11025931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).