10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine

C76H65N3O2 — CID 153449320

IUPAC10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
SMILESCC(C)c1ccc(N(c2cccc3c2oc2c(C(C)(C)C)cccc23)c2c3ccccc3cc3c2c2cccc4c5c(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6cc5n3c24)cc1
InChIInChI=1S/C76H65N3O2/c1-44(2)46-34-38-50(39-35-46)77(62-32-18-26-56-54-24-16-30-60(75(5,6)7)71(54)80-73(56)62)69-52-22-13-11-20-48(52)42-64-66(69)58-28-15-29-59-67-65(79(64)68(58)59)43-49-21-12-14-23-53(49)70(67)78(51-40-36-47(37-41-51)45(3)4)63-33-19-27-57-55-25-17-31-61(76(8,9)10)72(55)81-74(57)63/h11-45H,1-10H3
InChIKeyRAMVGZIWCSYSBT-UHFFFAOYSA-N
MW1052.37 g/mol
LogP22.72
Rot. Bonds8

About 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine

10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine (PubChem CID 153449320) has the molecular formula C76H65N3O2 and a molecular weight of 1052.37 g/mol. Its IUPAC name is 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine.

Molecular Properties

Compound Name10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
PubChem CID153449320
Molecular FormulaC76H65N3O2
Molecular Weight1052.37 g/mol
Exact Mass1051.51
IUPAC Name10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
SMILESCC(C)c1ccc(N(c2cccc3c2oc2c(C(C)(C)C)cccc23)c2c3ccccc3cc3c2c2cccc4c5c(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6cc5n3c24)cc1
InChIInChI=1S/C76H65N3O2/c1-44(2)46-34-38-50(39-35-46)77(62-32-18-26-56-54-24-16-30-60(75(5,6)7)71(54)80-73(56)62)69-52-22-13-11-20-48(52)42-64-66(69)58-28-15-29-59-67-65(79(64)68(58)59)43-49-21-12-14-23-53(49)70(67)78(51-40-36-47(37-41-51)45(3)4)63-33-19-27-57-55-25-17-31-61(76(8,9)10)72(55)81-74(57)63/h11-45H,1-10H3
InChIKeyRAMVGZIWCSYSBT-UHFFFAOYSA-N
XLogP22.72
TPSA37.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.37
LogP ≤ 522.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine with MolForge

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Related Compounds

9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
CID 138745152
10-N,18-N-bis(4-tert-butylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(2-methylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(3-methylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-diphenyl-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetraphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 165003865
14,24,29-tritert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(4-ethylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-phenyl-N-(3-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
CID 167685108
14,24,29-tritert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
CID 138745392
5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine
CID 139572988
10-N,10-N,18-N,18-N-tetraphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 146526978
4-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,20-N-bis(4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,19-nonaene-4,20-diamine
CID 144659156
10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(2-methyl-5-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N-dibenzofuran-4-yl-10-N,18-N-bis(2-methyl-5-phenylphenyl)-18-N-(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-di(dibenzothiophen-2-yl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 158772076
8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
CID 155361523
10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 146376358
9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene
CID 139323411
10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 167091828

Frequently Asked Questions

What is the IUPAC name of 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?
The IUPAC name of 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine (CID 153449320) is 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine.
What is the SMILES notation for 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?
The canonical SMILES for 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine is CC(C)c1ccc(N(c2cccc3c2oc2c(C(C)(C)C)cccc23)c2c3ccccc3cc3c2c2cccc4c5c(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6cc5n3c24)cc1.
What is the InChIKey of 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?
The InChIKey is RAMVGZIWCSYSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H65N3O2/c1-44(2)46-34-38-50(39-35-46)77(62-32-18-26-56-54-24-16-30-60(75(5,6)7)71(54)80-73(56)62)69-52-22-13-11-20-48(52)42-64-66(69)58-28-15-29-59-67-65(79(64)68(58)59)43-49-21-12-14-23-53(49)70(67)78(51-40-36-47(37-41-51)45(3)4)63-33-19-27-57-55-25-17-31-61(76(8,9)10)72(55)81-74(57)63/h11-45H,1-10H3.
What are the key properties of 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?
10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine has a molecular weight of 1052.37 g/mol, XLogP of 22.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine is sourced from PubChem (CID 153449320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).