8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine

C76H64N2O4 — CID 155362323

IUPAC8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine
SMILESCC(C)c1ccc(N(c2ccc3c(ccc4c3oc3ccc5oc6c7ccc(N(c8ccc(C(C)C)cc8)c8ccc9oc%10c(C(C)(C)C)cccc%10c9c8)cc7ccc6c5c34)c2)c2ccc3oc4c(C(C)(C)C)cccc4c3c2)cc1
InChIInChI=1S/C76H64N2O4/c1-43(2)45-17-23-49(24-18-45)77(53-29-35-65-61(41-53)57-13-11-15-63(73(57)79-65)75(5,6)7)51-27-33-55-47(39-51)21-31-59-69-67(81-71(55)59)37-38-68-70(69)60-32-22-48-40-52(28-34-56(48)72(60)82-68)78(50-25-19-46(20-26-50)44(3)4)54-30-36-66-62(42-54)58-14-12-16-64(74(58)80-66)76(8,9)10/h11-44H,1-10H3
InChIKeyXAEUXMLTFRDVNW-UHFFFAOYSA-N
MW1069.36 g/mol
LogP23.37
Rot. Bonds8

About 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine

8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine (PubChem CID 155362323) has the molecular formula C76H64N2O4 and a molecular weight of 1069.36 g/mol. Its IUPAC name is 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine
PubChem CID155362323
Molecular FormulaC76H64N2O4
Molecular Weight1069.36 g/mol
Exact Mass1068.49
IUPAC Name8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine
SMILESCC(C)c1ccc(N(c2ccc3c(ccc4c3oc3ccc5oc6c7ccc(N(c8ccc(C(C)C)cc8)c8ccc9oc%10c(C(C)(C)C)cccc%10c9c8)cc7ccc6c5c34)c2)c2ccc3oc4c(C(C)(C)C)cccc4c3c2)cc1
InChIInChI=1S/C76H64N2O4/c1-43(2)45-17-23-49(24-18-45)77(53-29-35-65-61(41-53)57-13-11-15-63(73(57)79-65)75(5,6)7)51-27-33-55-47(39-51)21-31-59-69-67(81-71(55)59)37-38-68-70(69)60-32-22-48-40-52(28-34-56(48)72(60)82-68)78(50-25-19-46(20-26-50)44(3)4)54-30-36-66-62(42-54)58-14-12-16-64(74(58)80-66)76(8,9)10/h11-44H,1-10H3
InChIKeyXAEUXMLTFRDVNW-UHFFFAOYSA-N
XLogP23.37
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.36
LogP ≤ 523.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine with MolForge

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Related Compounds

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
9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
CID 155360264
8-N,23-N-di(dibenzofuran-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 155360838
9-N,9-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
CID 155362187
9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359556
9-N,23-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359553
9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359528
6-N,25-N-bis(6-tert-butyldibenzofuran-2-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360939
23-N,23-N-di(dibenzofuran-2-yl)-8-N,8-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155360374
8-N,23-N-bis(3-propan-2-ylphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-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 155361208
8-N,23-N-bis(4-tert-butylphenyl)-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;8-N,23-N-bis(4-methylphenyl)-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;8-N,23-N-diphenyl-8-N,23-N-bis(4-propan-2-ylphenyl)-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 167706618
8-N,23-N-bis(3-propan-2-ylphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-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;7-N,17-N-di(dibenzofuran-3-yl)-7-N,17-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine;7-N,17-N-diphenyl-7-N,17-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-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;8-N,8-N,23-N,23-N-tetraphenyl-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 159801008

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?
The IUPAC name of 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine (CID 155362323) is 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine.
What is the SMILES notation for 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?
The canonical SMILES for 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine is CC(C)c1ccc(N(c2ccc3c(ccc4c3oc3ccc5oc6c7ccc(N(c8ccc(C(C)C)cc8)c8ccc9oc%10c(C(C)(C)C)cccc%10c9c8)cc7ccc6c5c34)c2)c2ccc3oc4c(C(C)(C)C)cccc4c3c2)cc1.
What is the InChIKey of 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?
The InChIKey is XAEUXMLTFRDVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H64N2O4/c1-43(2)45-17-23-49(24-18-45)77(53-29-35-65-61(41-53)57-13-11-15-63(73(57)79-65)75(5,6)7)51-27-33-55-47(39-51)21-31-59-69-67(81-71(55)59)37-38-68-70(69)60-32-22-48-40-52(28-34-56(48)72(60)82-68)78(50-25-19-46(20-26-50)44(3)4)54-30-36-66-62(42-54)58-14-12-16-64(74(58)80-66)76(8,9)10/h11-44H,1-10H3.
What are the key properties of 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?
8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine has a molecular weight of 1069.36 g/mol, XLogP of 23.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine is sourced from PubChem (CID 155362323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).