5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene

C60H54N6O6 — CID 139186355

IUPAC5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
SMILESCOc1ccc2c(c1)c1c3c4cc(OC)ccc4n(C)c3c3c(c4cc(OC)ccc4n3C)c1n2C.COc1ccc2c(c1)c1c3c4cc(OC)ccc4n(C)c3c3c(c4cc(OC)ccc4n3C)c1n2C
InChIInChI=1S/2C30H27N3O3/c2*1-31-22-10-7-16(34-4)13-19(22)25-26-20-14-17(35-5)8-11-23(20)32(2)29(26)30-27(28(25)31)21-15-18(36-6)9-12-24(21)33(30)3/h2*7-15H,1-6H3
InChIKeyUGSIQVHSQLWZCH-UHFFFAOYSA-N
MW955.13 g/mol
LogP13.29
Rot. Bonds6

About 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene

5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene (PubChem CID 139186355) has the molecular formula C60H54N6O6 and a molecular weight of 955.13 g/mol. Its IUPAC name is 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene.

Molecular Properties

Compound Name5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
PubChem CID139186355
Molecular FormulaC60H54N6O6
Molecular Weight955.13 g/mol
Exact Mass954.41
IUPAC Name5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
SMILESCOc1ccc2c(c1)c1c3c4cc(OC)ccc4n(C)c3c3c(c4cc(OC)ccc4n3C)c1n2C.COc1ccc2c(c1)c1c3c4cc(OC)ccc4n(C)c3c3c(c4cc(OC)ccc4n3C)c1n2C
InChIInChI=1S/2C30H27N3O3/c2*1-31-22-10-7-16(34-4)13-19(22)25-26-20-14-17(35-5)8-11-23(20)32(2)29(26)30-27(28(25)31)21-15-18(36-6)9-12-24(21)33(30)3/h2*7-15H,1-6H3
InChIKeyUGSIQVHSQLWZCH-UHFFFAOYSA-N
XLogP13.29
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.13
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene with MolForge

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Related Compounds

4-[5-fluoro-3,8-diphenoxy-11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazol-6-yl]-N,N-diphenylaniline
CID 90126268
4,5-Bis(3,6-dimethoxycarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295561
7-[4-[3,6-bis(4-methoxyphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 146250985
7-[6-(4-fluorophenyl)-7-[4-(2-methylpropoxy)phenyl]benzo[c]carbazol-10-yl]-N,N-bis[4-(4-methoxyphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine
CID 155445422
9-[[3,5-bis[[3,6-bis(4-methyl-N-(4-methylphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methylphenyl)carbazole-3,6-diamine;9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 157577698
2-Tert-butyl-9-[3-[5-(2-tert-butylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[3-[5-(3,6-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[3-[5-(3-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 158206014
9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 158670512
4-[3,6-Bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile
CID 159536579
9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine
CID 159732955
7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N-bis[4-(4-methoxyphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 159935699
9-[2,6-dimethyl-4-(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole;2-(3-methoxy-6-methylcarbazol-9-yl)-N,N-dimethyl-3-phenyl-5-(trifluoromethyl)aniline;3-methoxy-6-methyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole;3-methoxy-6-methyl-9-[2-methyl-4-(trifluoromethyl)phenyl]carbazole;3-methoxy-6-methyl-9-[2-phenyl-4-(trifluoromethyl)phenyl]carbazole
CID 160191364
3-[2,6-Dimethyl-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-2,6-dimethyl-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazole;3-[1-(9-ethylcarbazol-3-yl)cyclohexyl]-9-phenylcarbazole;3-[1,1,1,3,3,3-hexafluoro-2-(9-phenylcarbazol-3-yl)propan-2-yl]-9-phenylcarbazole;9-(4-methoxyphenyl)-3-[1-[9-(4-methoxyphenyl)carbazol-3-yl]cyclohexyl]carbazole;9-phenyl-3-[1-(9-phenylcarbazol-3-yl)cyclohexyl]carbazole
CID 161855097

Frequently Asked Questions

What is the IUPAC name of 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene?
The IUPAC name of 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene (CID 139186355) is 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene.
What is the SMILES notation for 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene?
The canonical SMILES for 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene is COc1ccc2c(c1)c1c3c4cc(OC)ccc4n(C)c3c3c(c4cc(OC)ccc4n3C)c1n2C.COc1ccc2c(c1)c1c3c4cc(OC)ccc4n(C)c3c3c(c4cc(OC)ccc4n3C)c1n2C.
What is the InChIKey of 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene?
The InChIKey is UGSIQVHSQLWZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H27N3O3/c2*1-31-22-10-7-16(34-4)13-19(22)25-26-20-14-17(35-5)8-11-23(20)32(2)29(26)30-27(28(25)31)21-15-18(36-6)9-12-24(21)33(30)3/h2*7-15H,1-6H3.
What are the key properties of 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene?
5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene has a molecular weight of 955.13 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14,25-trimethoxy-9,18,21-trimethyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene is sourced from PubChem (CID 139186355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).