hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene

C40H40 — CID 15618973

IUPAChexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene
SMILESc1cc2ccc1CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CC2
InChIInChI=1S/C40H40/c1-2-32-4-3-31(1)21-22-33-5-7-35(8-6-33)25-26-37-13-15-39(16-14-37)29-30-40-19-17-38(18-20-40)28-27-36-11-9-34(10-12-36)24-23-32/h1-20H,21-30H2
InChIKeyJBQOWPFLBZNWFB-UHFFFAOYSA-N
MW520.76 g/mol
LogP8.93
Rot. Bonds

About hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene

hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene (PubChem CID 15618973) has the molecular formula C40H40 and a molecular weight of 520.76 g/mol. Its IUPAC name is hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene.

Molecular Properties

Compound Namehexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene
PubChem CID15618973
Molecular FormulaC40H40
Molecular Weight520.76 g/mol
Exact Mass520.31
IUPAC Namehexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene
SMILESc1cc2ccc1CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CC2
InChIInChI=1S/C40H40/c1-2-32-4-3-31(1)21-22-33-5-7-35(8-6-33)25-26-37-13-15-39(16-14-37)29-30-40-19-17-38(18-20-40)28-27-36-11-9-34(10-12-36)24-23-32/h1-20H,21-30H2
InChIKeyJBQOWPFLBZNWFB-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.76
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene with MolForge

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Related Compounds

Benzo[a]pyrene
CID 2336
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Dibenzo(a,l)pyrene
CID 9119
DIBENZ(a,h)ANTHRACENE
CID 5889
Fenbutatin oxide
CID 16683004
Dibenzo(a,i)pyrene
CID 9106
Dibenzo(a,h)pyrene
CID 9108
DIBENZO(a,e)PYRENE
CID 9126
p-Terphenyl
CID 7115
Benzo(B)Triphenylene
CID 9164
Perylene
CID 9142

Frequently Asked Questions

What is the IUPAC name of hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene?
The IUPAC name of hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene (CID 15618973) is hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene.
What is the SMILES notation for hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene?
The canonical SMILES for hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene is c1cc2ccc1CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CCc1ccc(cc1)CC2.
What is the InChIKey of hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene?
The InChIKey is JBQOWPFLBZNWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40/c1-2-32-4-3-31(1)21-22-33-5-7-35(8-6-33)25-26-37-13-15-39(16-14-37)29-30-40-19-17-38(18-20-40)28-27-36-11-9-34(10-12-36)24-23-32/h1-20H,21-30H2.
What are the key properties of hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene?
hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene has a molecular weight of 520.76 g/mol, XLogP of 8.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[26.2.2.24,7.210,13.216,19.222,25]tetraconta-1(31),4,6,10,12,16(36),17,19(35),22(34),23,25(33),28(32),29,37,39-pentadecaene is sourced from PubChem (CID 15618973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).