7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene

C28H22Cl2 — CID 138461897

IUPAC7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene
SMILESCC1(C)c2cc3c(cc2-c2cc(Cl)cc(Cl)c21)C(C)(C)c1cccc2cccc-3c12
InChIInChI=1S/C28H22Cl2/c1-27(2)21-10-6-8-15-7-5-9-17(25(15)21)18-13-23-19(14-22(18)27)20-11-16(29)12-24(30)26(20)28(23,3)4/h5-14H,1-4H3
InChIKeyLCJPNXBSDHRYRM-UHFFFAOYSA-N
MW429.39 g/mol
LogP8.76
Rot. Bonds

About 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene

7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene (PubChem CID 138461897) has the molecular formula C28H22Cl2 and a molecular weight of 429.39 g/mol. Its IUPAC name is 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene.

Molecular Properties

Compound Name7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene
PubChem CID138461897
Molecular FormulaC28H22Cl2
Molecular Weight429.39 g/mol
Exact Mass428.11
IUPAC Name7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene
SMILESCC1(C)c2cc3c(cc2-c2cc(Cl)cc(Cl)c21)C(C)(C)c1cccc2cccc-3c12
InChIInChI=1S/C28H22Cl2/c1-27(2)21-10-6-8-15-7-5-9-17(25(15)21)18-13-23-19(14-22(18)27)20-11-16(29)12-24(30)26(20)28(23,3)4/h5-14H,1-4H3
InChIKeyLCJPNXBSDHRYRM-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.39
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene with MolForge

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Related Compounds

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(7,7-dimethylbenzo[a]phenalen-10-yl)boronic acid
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10-[3-(3-bromophenyl)phenyl]-7,7-dimethylbenzo[a]phenalene
CID 118532981
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10-chloro-6,6,12,12-tetramethyl-1,3-diphenylindeno[1,2-b]fluorene
CID 138461805
1-bromo-10-chloro-7,7-dimethylbenzo[c]fluorene
CID 176647216
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
7,7-dimethyl-10-(5-pyren-1-ylnaphthalen-2-yl)benzo[a]phenalene
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3,17-bis(9,9-dimethylfluoren-4-yl)-13,13-dimethylheptacyclo[17.7.1.02,18.04,16.06,14.07,12.023,27]heptacosa-1(26),2,4,6(14),7,9,11,15,17,19,21,23(27),24-tridecaene
CID 123170768
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CID 170668000
5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 176626786

Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene?
The IUPAC name of 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene (CID 138461897) is 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene.
What is the SMILES notation for 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene?
The canonical SMILES for 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene is CC1(C)c2cc3c(cc2-c2cc(Cl)cc(Cl)c21)C(C)(C)c1cccc2cccc-3c12.
What is the InChIKey of 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene?
The InChIKey is LCJPNXBSDHRYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2/c1-27(2)21-10-6-8-15-7-5-9-17(25(15)21)18-13-23-19(14-22(18)27)20-11-16(29)12-24(30)26(20)28(23,3)4/h5-14H,1-4H3.
What are the key properties of 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene?
7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene has a molecular weight of 429.39 g/mol, XLogP of 8.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene is sourced from PubChem (CID 138461897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).