9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

C25H18 — CID 58219949

IUPAC9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
SMILESCC1(C)c2ccccc2-c2c1cc1ccc3cccc4ccc2c1c34
InChIInChI=1S/C25H18/c1-25(2)20-9-4-3-8-18(20)24-19-13-12-16-7-5-6-15-10-11-17(14-21(24)25)23(19)22(15)16/h3-14H,1-2H3
InChIKeyGODRFIDELMQZAQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP6.89
Rot. Bonds

About 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene (PubChem CID 58219949) has the molecular formula C25H18 and a molecular weight of 318.42 g/mol. Its IUPAC name is 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
PubChem CID58219949
Molecular FormulaC25H18
Molecular Weight318.42 g/mol
Exact Mass318.14
IUPAC Name9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
SMILESCC1(C)c2ccccc2-c2c1cc1ccc3cccc4ccc2c1c34
InChIInChI=1S/C25H18/c1-25(2)20-9-4-3-8-18(20)24-19-13-12-16-7-5-6-15-10-11-17(14-21(24)25)23(19)22(15)16/h3-14H,1-2H3
InChIKeyGODRFIDELMQZAQ-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene with MolForge

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Related Compounds

3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene
CID 123216847
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
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
6-(11,11-dimethylbenzo[a]fluoren-8-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(23),16,18,20-undecaene
CID 142362875
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
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
6,6,16,16-tetramethyl-23-naphthalen-1-yl-10-phenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3(15),4,7(12),8,10,13,18,20,22,24,26(30),27-tetradecaene
CID 58261530
6,6,23,23-tetramethyl-16-thiadecacyclo[27.6.2.02,24.03,22.05,20.07,19.09,17.010,15.026,36.033,37]heptatriaconta-1(36),2(24),3(22),4,7(19),8,10,12,14,17,20,25,27,29(37),30,32,34-heptadecaene
CID 58261381
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
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
CID 58261396
7,7-dimethyl-4-(5-pyren-1-ylnaphthalen-1-yl)benzo[a]phenalene
CID 171045760
2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[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-undecaenyl)-9,9'-spirobi[fluorene]
CID 170533763

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene (CID 58219949) is 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene is CC1(C)c2ccccc2-c2c1cc1ccc3cccc4ccc2c1c34.
What is the InChIKey of 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene?
The InChIKey is GODRFIDELMQZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18/c1-25(2)20-9-4-3-8-18(20)24-19-13-12-16-7-5-6-15-10-11-17(14-21(24)25)23(19)22(15)16/h3-14H,1-2H3.
What are the key properties of 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene?
9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene has a molecular weight of 318.42 g/mol, XLogP of 6.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 58219949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).