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

C40H24 — CID 15525083

IUPACnonacyclo[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
SMILESc1ccc2c3c(ccc2c1)-c1ccc2ccccc2c1-c1c(ccc2ccccc12)-c1ccc2ccccc2c1-3
InChIInChI=1S/C40H24/c1-5-13-29-25(9-1)17-21-33-34-22-18-27-11-3-7-15-31(27)39(34)40-32-16-8-4-12-28(32)20-24-36(40)35-23-19-26-10-2-6-14-30(26)38(35)37(29)33/h1-24H/b34-33-,36-35-,38-37-,40-39-
InChIKeyYNPOEAUMXSUSBW-ZERXPZHZSA-N
MW504.63 g/mol
LogP11.28
Rot. Bonds

About 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

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 (PubChem CID 15525083) has the molecular formula C40H24 and a molecular weight of 504.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namenonacyclo[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
PubChem CID15525083
Molecular FormulaC40H24
Molecular Weight504.63 g/mol
Exact Mass504.19
IUPAC Namenonacyclo[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
SMILESc1ccc2c3c(ccc2c1)-c1ccc2ccccc2c1-c1c(ccc2ccccc12)-c1ccc2ccccc2c1-3
InChIInChI=1S/C40H24/c1-5-13-29-25(9-1)17-21-33-34-22-18-27-11-3-7-15-31(27)39(34)40-32-16-8-4-12-28(32)20-24-36(40)35-23-19-26-10-2-6-14-30(26)38(35)37(29)33/h1-24H/b34-33-,36-35-,38-37-,40-39-
InChIKeyYNPOEAUMXSUSBW-ZERXPZHZSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c3c(ccc2c1)-c1ccc2ccccc2c1-c1c(ccc2ccccc12)-c1ccc2ccccc2c1-3.
What is the InChIKey of 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?
The InChIKey is YNPOEAUMXSUSBW-ZERXPZHZSA-N. The full InChI is InChI=1S/C40H24/c1-5-13-29-25(9-1)17-21-33-34-22-18-27-11-3-7-15-31(27)39(34)40-32-16-8-4-12-28(32)20-24-36(40)35-23-19-26-10-2-6-14-30(26)38(35)37(29)33/h1-24H/b34-33-,36-35-,38-37-,40-39-.
What are the key properties of 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?
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 has a molecular weight of 504.63 g/mol, XLogP of 11.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 15525083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).