9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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

C256H200N8O8 — CID 167661287

About 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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

9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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 (PubChem CID 167661287) has the molecular formula C256H200N8O8 and a molecular weight of 3516.46 g/mol. Its IUPAC name is 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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.

Molecular Properties

• Compound Name: 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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
• PubChem CID: 167661287
• Molecular Formula: C256H200N8O8
• Molecular Weight: 3516.46 g/mol
• Exact Mass: 3513.55
• IUPAC Name: 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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
• SMILES: CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4c(cc35)oc3cc5cc(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc5cc34)cccc12.Cc1ccc(-c2ccccc2)cc1N(c1cc(C(C)C)c2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4c(C)ccc5c4oc4ccccc45)cc(C(C)C)c4ccc1c2c43)c1c(C)ccc2c1oc1ccccc12.Cc1ccccc1N(c1cc(-c2ccccc2)ccc1C)c1cc(C(C)C)c2ccc3c(N(c4ccccc4C)c4cc(-c5ccccc5)ccc4C)cc(C(C)C)c4ccc1c2c43.c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccccc6)c6ccccc6)cc5cc4oc32)cc1
• InChI: InChI=1S/C74H60N2O2.C70H52N2O4.C62H56N2.C50H32N2O2/c1-43(2)61-41-65(75(63-39-51(31-27-45(63)5)49-19-11-9-12-20-49)71-47(7)29-33-57-53-23-15-17-25-67(53)77-73(57)71)59-38-36-56-62(44(3)4)42-66(60-37-35-55(61)69(59)70(56)60)76(64-40-52(32-28-46(64)6)50-21-13-10-14-22-50)72-48(8)30-34-58-54-24-16-18-26-68(54)78-74(58)72;1-69(2,3)57-25-13-21-49-51-23-15-27-59(67(51)75-65(49)57)71(45-17-9-7-10-18-45)47-31-29-41-35-53-55-39-64-56(40-63(55)73-61(53)37-43(41)33-47)54-36-42-30-32-48(34-44(42)38-62(54)74-64)72(46-19-11-8-12-20-46)60-28-16-24-52-50-22-14-26-58(70(4,5)6)66(50)76-68(52)60;1-39(2)53-37-59(63(55-25-17-15-19-41(55)5)57-35-47(29-27-43(57)7)45-21-11-9-12-22-45)51-34-32-50-54(40(3)4)38-60(52-33-31-49(53)61(51)62(50)52)64(56-26-18-16-20-42(56)6)58-36-48(30-28-44(58)8)46-23-13-10-14-24-46;1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-23-21-33-29-45-43-25-26-44-46-30-34-22-24-42(52(39-17-9-3-10-18-39)40-19-11-4-12-20-40)28-36(34)32-48(46)54-50(44)49(43)53-47(45)31-35(33)27-41/h9-44H,1-8H3;7-40H,1-6H3;9-40H,1-8H3;1-32H
• InChIKey: RZMNRXYQVFCIBK-UHFFFAOYSA-N
• XLogP: 76.33
• TPSA: 131.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3516.46
LogP ≤ 5	76.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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?

The IUPAC name of 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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 167661287) is 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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.

What is the SMILES notation for 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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?

The canonical SMILES for 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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 is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4c(cc35)oc3cc5cc(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc5cc34)cccc12.Cc1ccc(-c2ccccc2)cc1N(c1cc(C(C)C)c2ccc3c(N(c4cc(-c5ccccc5)ccc4C)c4c(C)ccc5c4oc4ccccc45)cc(C(C)C)c4ccc1c2c43)c1c(C)ccc2c1oc1ccccc12.Cc1ccccc1N(c1cc(-c2ccccc2)ccc1C)c1cc(C(C)C)c2ccc3c(N(c4ccccc4C)c4cc(-c5ccccc5)ccc4C)cc(C(C)C)c4ccc1c2c43.c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccccc6)c6ccccc6)cc5cc4oc32)cc1.

What is the InChIKey of 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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?

The InChIKey is RZMNRXYQVFCIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60N2O2.C70H52N2O4.C62H56N2.C50H32N2O2/c1-43(2)61-41-65(75(63-39-51(31-27-45(63)5)49-19-11-9-12-20-49)71-47(7)29-33-57-53-23-15-17-25-67(53)77-73(57)71)59-38-36-56-62(44(3)4)42-66(60-37-35-55(61)69(59)70(56)60)76(64-40-52(32-28-46(64)6)50-21-13-10-14-22-50)72-48(8)30-34-58-54-24-16-18-26-68(54)78-74(58)72;1-69(2,3)57-25-13-21-49-51-23-15-27-59(67(51)75-65(49)57)71(45-17-9-7-10-18-45)47-31-29-41-35-53-55-39-64-56(40-63(55)73-61(53)37-43(41)33-47)54-36-42-30-32-48(34-44(42)38-62(54)74-64)72(46-19-11-8-12-20-46)60-28-16-24-52-50-22-14-26-58(70(4,5)6)66(50)76-68(52)60;1-39(2)53-37-59(63(55-25-17-15-19-41(55)5)57-35-47(29-27-43(57)7)45-21-11-9-12-22-45)51-34-32-50-54(40(3)4)38-60(52-33-31-49(53)61(51)62(50)52)64(56-26-18-16-20-42(56)6)58-36-48(30-28-44(58)8)46-23-13-10-14-24-46;1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-23-21-33-29-45-43-25-26-44-46-30-34-22-24-42(52(39-17-9-3-10-18-39)40-19-11-4-12-20-40)28-36(34)32-48(46)54-50(44)49(43)53-47(45)31-35(33)27-41/h9-44H,1-8H3;7-40H,1-6H3;9-40H,1-8H3;1-32H.

What are the key properties of 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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?

9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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 has a molecular weight of 3516.46 g/mol, XLogP of 76.33, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-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;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-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 is sourced from PubChem (CID 167661287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).