9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C25H22 — CID 59561091

IUPAC9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCc1c2c(c3ccccc3c1C)-c1c(c(C)c(C)c3ccccc13)C2
InChIInChI=1S/C25H22/c1-14-16(3)22-13-23-17(4)15(2)19-10-6-8-12-21(19)25(23)24(22)20-11-7-5-9-18(14)20/h5-12H,13H2,1-4H3
InChIKeyBVVGHHZKXASUHD-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.80
Rot. Bonds

About 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 59561091) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID59561091
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCc1c2c(c3ccccc3c1C)-c1c(c(C)c(C)c3ccccc13)C2
InChIInChI=1S/C25H22/c1-14-16(3)22-13-23-17(4)15(2)19-10-6-8-12-21(19)25(23)24(22)20-11-7-5-9-18(14)20/h5-12H,13H2,1-4H3
InChIKeyBVVGHHZKXASUHD-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Related Compounds

9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
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4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene
CID 134983141
5,6,7,12,13,14-hexamethylpentacene
CID 20682938
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane
CID 165047463
1,3,4-trimethylnaphthalen-2-amine
CID 68501802
9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene
CID 159243819
1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene
CID 162165852
9,10-dimethyl-3,4-dihydrophenanthrene
CID 142416253
2,9,10-trimethylphenanthrene
CID 11345039
9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene
CID 21043379

Frequently Asked Questions

What is the IUPAC name of 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 59561091) is 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is Cc1c2c(c3ccccc3c1C)-c1c(c(C)c(C)c3ccccc13)C2.
What is the InChIKey of 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is BVVGHHZKXASUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-14-16(3)22-13-23-17(4)15(2)19-10-6-8-12-21(19)25(23)24(22)20-11-7-5-9-18(14)20/h5-12H,13H2,1-4H3.
What are the key properties of 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 322.45 g/mol, XLogP of 6.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 59561091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).