5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C43H43N — CID 70885902

IUPAC5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCc1cc(C)cc(-c2cc3c4c(c2)C(C)(C)c2cc(-c5cc(C)cc(C)c5)cc5c2N4c2c(cccc2C5(C)C)C3(C)C)c1
InChIInChI=1S/C43H43N/c1-24-14-25(2)17-28(16-24)30-20-34-39-36(22-30)43(9,10)37-23-31(29-18-26(3)15-27(4)19-29)21-35-40(37)44(39)38-32(41(34,5)6)12-11-13-33(38)42(35,7)8/h11-23H,1-10H3
InChIKeyWJQFCYPSDOFGCM-UHFFFAOYSA-N
MW573.82 g/mol
LogP11.64
Rot. Bonds2

About 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 70885902) has the molecular formula C43H43N and a molecular weight of 573.82 g/mol. Its IUPAC name is 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID70885902
Molecular FormulaC43H43N
Molecular Weight573.82 g/mol
Exact Mass573.34
IUPAC Name5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCc1cc(C)cc(-c2cc3c4c(c2)C(C)(C)c2cc(-c5cc(C)cc(C)c5)cc5c2N4c2c(cccc2C5(C)C)C3(C)C)c1
InChIInChI=1S/C43H43N/c1-24-14-25(2)17-28(16-24)30-20-34-39-36(22-30)43(9,10)37-23-31(29-18-26(3)15-27(4)19-29)21-35-40(37)44(39)38-32(41(34,5)6)12-11-13-33(38)42(35,7)8/h11-23H,1-10H3
InChIKeyWJQFCYPSDOFGCM-UHFFFAOYSA-N
XLogP11.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.82
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 70885902) is 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is Cc1cc(C)cc(-c2cc3c4c(c2)C(C)(C)c2cc(-c5cc(C)cc(C)c5)cc5c2N4c2c(cccc2C5(C)C)C3(C)C)c1.
What is the InChIKey of 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is WJQFCYPSDOFGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N/c1-24-14-25(2)17-28(16-24)30-20-34-39-36(22-30)43(9,10)37-23-31(29-18-26(3)15-27(4)19-29)21-35-40(37)44(39)38-32(41(34,5)6)12-11-13-33(38)42(35,7)8/h11-23H,1-10H3.
What are the key properties of 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 573.82 g/mol, XLogP of 11.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 70885902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).