heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene

C40H32 — CID 2751912

IUPACheptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene
SMILESc1ccc2c(c1)-c1ccc(cc1)CCc1ccc(cc1)-c1ccccc1-c1ccc(cc1)CCc1ccc-2cc1
InChIInChI=1S/C40H32/c1-2-6-38-34-23-15-30(16-24-34)11-12-32-19-27-36(28-20-32)40-8-4-3-7-39(40)35-25-17-31(18-26-35)10-9-29-13-21-33(22-14-29)37(38)5-1/h1-8,13-28H,9-12H2
InChIKeyGOMVBSVLRKIFBS-UHFFFAOYSA-N
MW512.70 g/mol
LogP10.24
Rot. Bonds

About heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene

heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene (PubChem CID 2751912) has the molecular formula C40H32 and a molecular weight of 512.70 g/mol. Its IUPAC name is heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene.

Molecular Properties

Compound Nameheptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene
PubChem CID2751912
Molecular FormulaC40H32
Molecular Weight512.70 g/mol
Exact Mass512.25
IUPAC Nameheptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene
SMILESc1ccc2c(c1)-c1ccc(cc1)CCc1ccc(cc1)-c1ccccc1-c1ccc(cc1)CCc1ccc-2cc1
InChIInChI=1S/C40H32/c1-2-6-38-34-23-15-30(16-24-34)11-12-32-19-27-36(28-20-32)40-8-4-3-7-39(40)35-25-17-31(18-26-35)10-9-29-13-21-33(22-14-29)37(38)5-1/h1-8,13-28H,9-12H2
InChIKeyGOMVBSVLRKIFBS-UHFFFAOYSA-N
XLogP10.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene?
The IUPAC name of heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene (CID 2751912) is heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene.
What is the SMILES notation for heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene?
The canonical SMILES for heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene is c1ccc2c(c1)-c1ccc(cc1)CCc1ccc(cc1)-c1ccccc1-c1ccc(cc1)CCc1ccc-2cc1.
What is the InChIKey of heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene?
The InChIKey is GOMVBSVLRKIFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32/c1-2-6-38-34-23-15-30(16-24-34)11-12-32-19-27-36(28-20-32)40-8-4-3-7-39(40)35-25-17-31(18-26-35)10-9-29-13-21-33(22-14-29)37(38)5-1/h1-8,13-28H,9-12H2.
What are the key properties of heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene?
heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene has a molecular weight of 512.70 g/mol, XLogP of 10.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[28.2.2.28,11.214,17.224,27.02,7.018,23]tetraconta-1(32),2,4,6,8(40),9,11(39),14(38),15,17(37),18,20,22,24,26,30,33,35-octadecaene is sourced from PubChem (CID 2751912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).