5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene

C54H72 — CID 159255668

IUPAC5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1-2.CC1(C)CCC(C)(C)c2cc3c(cc21)-c1cc2c(cc1C3(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C31H42.C23H30/c1-27(2)11-13-29(5,6)25-17-21-19(15-23(25)27)20-16-24-26(18-22(20)31(21,9)10)30(7,8)14-12-28(24,3)4;1-21(2,3)15-9-11-17-18-12-10-16(22(4,5)6)14-20(18)23(7,8)19(17)13-15/h15-18H,11-14H2,1-10H3;9-14H,1-8H3
InChIKeyKVWBRGNAUDKHIP-UHFFFAOYSA-N
MW721.17 g/mol
LogP15.28
Rot. Bonds

About 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene

5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene (PubChem CID 159255668) has the molecular formula C54H72 and a molecular weight of 721.17 g/mol. Its IUPAC name is 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene.

Molecular Properties

Compound Name5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene
PubChem CID159255668
Molecular FormulaC54H72
Molecular Weight721.17 g/mol
Exact Mass720.56
IUPAC Name5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1-2.CC1(C)CCC(C)(C)c2cc3c(cc21)-c1cc2c(cc1C3(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C31H42.C23H30/c1-27(2)11-13-29(5,6)25-17-21-19(15-23(25)27)20-16-24-26(18-22(20)31(21,9)10)30(7,8)14-12-28(24,3)4;1-21(2,3)15-9-11-17-18-12-10-16(22(4,5)6)14-20(18)23(7,8)19(17)13-15/h15-18H,11-14H2,1-10H3;9-14H,1-8H3
InChIKeyKVWBRGNAUDKHIP-UHFFFAOYSA-N
XLogP15.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.17
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene with MolForge

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Related Compounds

3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
CID 169030071
N-(4-tert-butylphenyl)-6,6,9,9,11,11-hexamethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydrobenzo[b]fluoren-2-amine
CID 169180076
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-ol
CID 71521561
9,9-dimethyl-2,7-bis(2-methylbutan-2-yl)fluorene
CID 143017257
2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile
CID 18177846
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene
CID 58986985
6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene
CID 59782352
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene
CID 58986915
(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane
CID 67896056

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene?
The IUPAC name of 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene (CID 159255668) is 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene.
What is the SMILES notation for 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene?
The canonical SMILES for 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1-2.CC1(C)CCC(C)(C)c2cc3c(cc21)-c1cc2c(cc1C3(C)C)C(C)(C)CCC2(C)C.
What is the InChIKey of 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene?
The InChIKey is KVWBRGNAUDKHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42.C23H30/c1-27(2)11-13-29(5,6)25-17-21-19(15-23(25)27)20-16-24-26(18-22(20)31(21,9)10)30(7,8)14-12-28(24,3)4;1-21(2,3)15-9-11-17-18-12-10-16(22(4,5)6)14-20(18)23(7,8)19(17)13-15/h15-18H,11-14H2,1-10H3;9-14H,1-8H3.
What are the key properties of 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene?
5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene has a molecular weight of 721.17 g/mol, XLogP of 15.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene is sourced from PubChem (CID 159255668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).