6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene

C35H28 — CID 123671140

IUPAC6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc2ccc4c5c2c1=CC=C(C=CC=4)C5)C3(C)C
InChIInChI=1S/C35H28/c1-34(2)28-11-6-5-10-23(28)26-18-30-27(19-29(26)34)33-24-15-12-20-8-7-9-21-13-14-22(32(24)25(21)16-20)17-31(33)35(30,3)4/h5-15,17-19H,16H2,1-4H3
InChIKeySEUGCNPRRHVRFC-UHFFFAOYSA-N
MW448.61 g/mol
LogP7.07
Rot. Bonds

About 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene

6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene (PubChem CID 123671140) has the molecular formula C35H28 and a molecular weight of 448.61 g/mol. Its IUPAC name is 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene.

Molecular Properties

Compound Name6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene
PubChem CID123671140
Molecular FormulaC35H28
Molecular Weight448.61 g/mol
Exact Mass448.22
IUPAC Name6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc2ccc4c5c2c1=CC=C(C=CC=4)C5)C3(C)C
InChIInChI=1S/C35H28/c1-34(2)28-11-6-5-10-23(28)26-18-30-27(19-29(26)34)33-24-15-12-20-8-7-9-21-13-14-22(32(24)25(21)16-20)17-31(33)35(30,3)4/h5-15,17-19H,16H2,1-4H3
InChIKeySEUGCNPRRHVRFC-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene with MolForge

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Related Compounds

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CID 58219949
2-(6,6,16,16-tetramethyl-23-octacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3(15),4,7,9,11,13,18,20,22,24,26(30),27-tetradecaenyl)pyridine
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13,13,31,31-tetramethyldecacyclo[17.17.2.02,14.03,12.04,9.016,37.020,32.021,30.022,27.034,38]octatriaconta-1(37),2(14),3(12),4,6,8,10,15,17,19(38),20(32),21(30),22,24,26,28,33,35-octadecaene;13,13,31,31-tetramethyldecacyclo[17.17.2.02,14.03,12.05,10.016,37.020,32.021,30.023,28.034,38]octatriaconta-1(37),2(14),3,5,7,9,11,15,17,19(38),20(32),21,23,25,27,29,33,35-octadecaene;9,9,23,23-tetramethyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),17,19,21,25,27-tetradecaene;21,21,35,35-tetramethylundecacyclo[25.13.2.02,22.03,20.05,18.06,11.012,17.024,41.028,36.029,34.038,42]dotetraconta-1(41),2(22),3(20),4,6,8,10,12,14,16,18,23,25,27(42),28(36),29,31,33,37,39-icosaene
CID 162156008
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
9-(2-cyclohexa-1,3-dien-1-ylethynyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,7,9,14,16,18,20,23-decaene
CID 123434351
17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene
CID 58402162
2-phenyl-4-(4-phenylphenyl)-6-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]-1,3,5-triazine
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4-(7,7-dimethylbenzo[c]fluoren-5-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411777
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CID 157108235
17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine
CID 58402179
1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene
CID 143920877
3,13-bis(9,9-dimethylfluoren-2-yl)-4,5,14,15-tetramethyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene
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Frequently Asked Questions

What is the IUPAC name of 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene?
The IUPAC name of 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene (CID 123671140) is 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene.
What is the SMILES notation for 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene?
The canonical SMILES for 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc2ccc4c5c2c1=CC=C(C=CC=4)C5)C3(C)C.
What is the InChIKey of 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene?
The InChIKey is SEUGCNPRRHVRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28/c1-34(2)28-11-6-5-10-23(28)26-18-30-27(19-29(26)34)33-24-15-12-20-8-7-9-21-13-14-22(32(24)25(21)16-20)17-31(33)35(30,3)4/h5-15,17-19H,16H2,1-4H3.
What are the key properties of 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene?
6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene has a molecular weight of 448.61 g/mol, XLogP of 7.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,16,16-tetramethyloctacyclo[24.3.2.02,17.03,15.05,13.07,12.019,29.022,28]hentriaconta-1(30),2(17),3(15),4,7,9,11,13,18,20,22,24,26(31),28-tetradecaene is sourced from PubChem (CID 123671140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).