2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

C70H72N2O2 — CID 155361939

IUPAC2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
SMILESCc1cccc(C)c1N(c1cccc(C(C)(C)C)c1)c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6cccc(C(C)(C)C)c6)c6c(C)cccc6C)ccc5cc42)c(C(C)(C)C)c13
InChIInChI=1S/C70H72N2O2/c1-41-21-17-22-42(2)63(41)71(51-27-19-25-49(39-51)67(5,6)7)53-31-29-45-35-55-57(37-47(45)33-53)73-65-59(55)61(69(11,12)13)66-60(62(65)70(14,15)16)56-36-46-30-32-54(34-48(46)38-58(56)74-66)72(64-43(3)23-18-24-44(64)4)52-28-20-26-50(40-52)68(8,9)10/h17-40H,1-16H3
InChIKeyBFFUYKXPXCNDJR-UHFFFAOYSA-N
MW973.36 g/mol
LogP21.16
Rot. Bonds6

About 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 155361939) has the molecular formula C70H72N2O2 and a molecular weight of 973.36 g/mol. Its IUPAC name is 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

Compound Name2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
PubChem CID155361939
Molecular FormulaC70H72N2O2
Molecular Weight973.36 g/mol
Exact Mass972.56
IUPAC Name2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
SMILESCc1cccc(C)c1N(c1cccc(C(C)(C)C)c1)c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6cccc(C(C)(C)C)c6)c6c(C)cccc6C)ccc5cc42)c(C(C)(C)C)c13
InChIInChI=1S/C70H72N2O2/c1-41-21-17-22-42(2)63(41)71(51-27-19-25-49(39-51)67(5,6)7)53-31-29-45-35-55-57(37-47(45)33-53)73-65-59(55)61(69(11,12)13)66-60(62(65)70(14,15)16)56-36-46-30-32-54(34-48(46)38-58(56)74-66)72(64-43(3)23-18-24-44(64)4)52-28-20-26-50(40-52)68(8,9)10/h17-40H,1-16H3
InChIKeyBFFUYKXPXCNDJR-UHFFFAOYSA-N
XLogP21.16
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.36
LogP ≤ 521.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine with MolForge

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Related Compounds

9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361254
2-tert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361166
8-N,23-N-bis(2,6-dimethylphenyl)-15,16-dimethyl-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362989
9-N,23-N-bis(5-tert-butyl-2-methylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155362000
8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155363248
2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155363069
8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362728
9,23-bis(N-(2,6-dimethylphenyl)-2,6-dimethylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-2,16-dicarbonitrile
CID 155360883
16-tert-butyl-N-(16-tert-butyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(2,6-dimethylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032245
2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 162037726
8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-bis(2,6-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362024
8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155360665

Frequently Asked Questions

What is the IUPAC name of 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?
The IUPAC name of 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 155361939) is 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.
What is the SMILES notation for 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?
The canonical SMILES for 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is Cc1cccc(C)c1N(c1cccc(C(C)(C)C)c1)c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6cccc(C(C)(C)C)c6)c6c(C)cccc6C)ccc5cc42)c(C(C)(C)C)c13.
What is the InChIKey of 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?
The InChIKey is BFFUYKXPXCNDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H72N2O2/c1-41-21-17-22-42(2)63(41)71(51-27-19-25-49(39-51)67(5,6)7)53-31-29-45-35-55-57(37-47(45)33-53)73-65-59(55)61(69(11,12)13)66-60(62(65)70(14,15)16)56-36-46-30-32-54(34-48(46)38-58(56)74-66)72(64-43(3)23-18-24-44(64)4)52-28-20-26-50(40-52)68(8,9)10/h17-40H,1-16H3.
What are the key properties of 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?
2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 973.36 g/mol, XLogP of 21.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,16-ditert-butyl-9-N,23-N-bis(3-tert-butylphenyl)-9-N,23-N-bis(2,6-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 155361939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).