10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene

C24H22 — CID 140684072

IUPAC10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene
SMILESCC1(C)c2cc3ccccc3c3c2c(cc2ccccc23)C1(C)C
InChIInChI=1S/C24H22/c1-23(2)19-13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)14-20(22(19)21)24(23,3)4/h5-14H,1-4H3
InChIKeyKKXQROVLPQTGTH-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.72
Rot. Bonds

About 10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene

10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene (PubChem CID 140684072) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene.

Molecular Properties

Compound Name10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene
PubChem CID140684072
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene
SMILESCC1(C)c2cc3ccccc3c3c2c(cc2ccccc23)C1(C)C
InChIInChI=1S/C24H22/c1-23(2)19-13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)14-20(22(19)21)24(23,3)4/h5-14H,1-4H3
InChIKeyKKXQROVLPQTGTH-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 90911318
9-iodo-4,4,5,5-tetramethylpyrene
CID 176764650
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091
(9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine
CID 176798507
heptacyclo[15.9.1.118,22.02,7.09,27.010,15.026,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22(28),23,25-tetradecaene
CID 22222732
heptacyclo[12.12.0.02,11.03,8.04,25.017,26.019,24]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21,23,25-tridecaene
CID 6455215
heptacyclo[16.12.0.02,11.03,8.012,17.021,30.023,28]triaconta-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-pentadecaene
CID 164666450
19,19-dimethyloctacyclo[16.15.0.03,16.04,13.06,11.020,33.021,30.022,27]tritriaconta-1(18),2,4,6,8,10,12,14,16,20(33),21(30),22,24,26,28,31-hexadecaene;ethane
CID 91372623
9-(2-methylprop-1-enyl)anthracene
CID 59708728
16,16-dimethylheptacyclo[15.11.1.02,15.04,13.06,11.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,17,19,21,23,25(29),26-tetradecaene;ethane
CID 90827557
16,16-dimethylheptacyclo[15.11.1.02,15.04,13.06,11.018,23.025,29]nonacosa-1(28),2,4,6,8,10,12,14,17(29),18,20,22,24,26-tetradecaene;ethane
CID 90946644
CID 13203482
CID 13203482

Frequently Asked Questions

What is the IUPAC name of 10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene?
The IUPAC name of 10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene (CID 140684072) is 10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene.
What is the SMILES notation for 10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene?
The canonical SMILES for 10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene is CC1(C)c2cc3ccccc3c3c2c(cc2ccccc23)C1(C)C.
What is the InChIKey of 10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene?
The InChIKey is KKXQROVLPQTGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-23(2)19-13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)14-20(22(19)21)24(23,3)4/h5-14H,1-4H3.
What are the key properties of 10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene?
10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene has a molecular weight of 310.44 g/mol, XLogP of 6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene is sourced from PubChem (CID 140684072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).