9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene

C40H44 — CID 163799471

IUPAC9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
SMILESCCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(C)ccc2-3)C(CC)(CC)c2ccccc2-1
InChIInChI=1S/C40H44/c1-8-38(9-2)30-21-17-15-19-27(30)33-35(38)32-26-18-14-16-20-29(26)39(10-3,11-4)36(32)34-28-23-22-25(7)24-31(28)40(12-5,13-6)37(33)34/h14-24H,8-13H2,1-7H3
InChIKeyNDSXOKWCXHALAB-UHFFFAOYSA-N
MW524.79 g/mol
LogP11.25
Rot. Bonds6

About 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene

9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene (PubChem CID 163799471) has the molecular formula C40H44 and a molecular weight of 524.79 g/mol. Its IUPAC name is 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene.

Molecular Properties

Compound Name9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
PubChem CID163799471
Molecular FormulaC40H44
Molecular Weight524.79 g/mol
Exact Mass524.34
IUPAC Name9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
SMILESCCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(C)ccc2-3)C(CC)(CC)c2ccccc2-1
InChIInChI=1S/C40H44/c1-8-38(9-2)30-21-17-15-19-27(30)33-35(38)32-26-18-14-16-20-29(26)39(10-3,11-4)36(32)34-28-23-22-25(7)24-31(28)40(12-5,13-6)37(33)34/h14-24H,8-13H2,1-7H3
InChIKeyNDSXOKWCXHALAB-UHFFFAOYSA-N
XLogP11.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.79
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene with MolForge

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Related Compounds

6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 102150204
9,9-diethyl-4-methylfluorene
CID 145474512
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene
CID 144614028
9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene
CID 59512850
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene
CID 142549933
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028072
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9,9-diethylfluoren-2-ol
CID 163996675
CID 173482166
CID 173482166
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057

Frequently Asked Questions

What is the IUPAC name of 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene?
The IUPAC name of 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene (CID 163799471) is 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene.
What is the SMILES notation for 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene?
The canonical SMILES for 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene is CCC1(CC)c2ccccc2-c2c1c1c(c3c2C(CC)(CC)c2cc(C)ccc2-3)C(CC)(CC)c2ccccc2-1.
What is the InChIKey of 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene?
The InChIKey is NDSXOKWCXHALAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44/c1-8-38(9-2)30-21-17-15-19-27(30)33-35(38)32-26-18-14-16-20-29(26)39(10-3,11-4)36(32)34-28-23-22-25(7)24-31(28)40(12-5,13-6)37(33)34/h14-24H,8-13H2,1-7H3.
What are the key properties of 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene?
9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene has a molecular weight of 524.79 g/mol, XLogP of 11.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene is sourced from PubChem (CID 163799471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).