10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane

C224H162N12O6 — CID 163549997

About 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane

10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane (PubChem CID 163549997) has the molecular formula C224H162N12O6 and a molecular weight of 3117.84 g/mol. Its IUPAC name is 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane.

Molecular Properties

• Compound Name: 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane
• PubChem CID: 163549997
• Molecular Formula: C224H162N12O6
• Molecular Weight: 3117.84 g/mol
• Exact Mass: 3115.27
• IUPAC Name: 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane
• SMILES: C.C.C.C.C.C.CC(C)c1ccc(N(c2cccc3c2oc2ccccc23)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5ccc(C(C)C)cc5)c5cccc7c5oc5ccccc57)cccc4n6c23)cc1.Cc1ccc(N(c2cccc3c2oc2ccccc23)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5ccc(C)cc5)c5cccc7c5oc5ccccc57)cccc4n6c23)cc1.c1ccc(-c2ccccc2N(c2cccc3c2oc2ccccc23)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5ccccc5-c5ccccc5)c5cccc7c5oc5ccccc57)cccc4n6c23)cc1
• InChI: InChI=1S/C78H46N4O2.C72H50N4O2.C68H42N4O2.6CH4/c1-3-21-47(22-4-1)49-25-7-11-35-61(49)79(67-41-17-31-55-51-27-9-13-43-71(51)83-77(55)67)63-37-19-39-65-73(63)57-33-15-29-53-59-46-70-60(45-69(59)81(65)75(53)57)54-30-16-34-58-74-64(38-20-40-66(74)82(70)76(54)58)80(62-36-12-8-26-50(62)48-23-5-2-6-24-48)68-42-18-32-56-52-28-10-14-44-72(52)84-78(56)68;1-41(2)43-31-35-45(36-32-43)73(61-27-11-19-51-47-15-5-7-29-65(47)77-71(51)61)57-23-13-25-59-67(57)53-21-9-17-49-55-40-64-56(39-63(55)75(59)69(49)53)50-18-10-22-54-68-58(24-14-26-60(68)76(64)70(50)54)74(46-37-33-44(34-38-46)42(3)4)62-28-12-20-52-48-16-6-8-30-66(48)78-72(52)62;1-39-29-33-41(34-30-39)69(57-25-9-17-47-43-13-3-5-27-61(43)73-67(47)57)53-21-11-23-55-63(53)49-19-7-15-45-51-38-60-52(37-59(51)71(55)65(45)49)46-16-8-20-50-64-54(22-12-24-56(64)72(60)66(46)50)70(42-35-31-40(2)32-36-42)58-26-10-18-48-44-14-4-6-28-62(44)74-68(48)58;;;;;;/h1-46H;5-42H,1-4H3;3-38H,1-2H3;6*1H4
• InChIKey: FIGXBMIOJDEFFG-UHFFFAOYSA-N
• XLogP: 66.19
• TPSA: 124.74 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3117.84
LogP ≤ 5	66.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane?

The IUPAC name of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane (CID 163549997) is 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane.

What is the SMILES notation for 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane?

The canonical SMILES for 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane is C.C.C.C.C.C.CC(C)c1ccc(N(c2cccc3c2oc2ccccc23)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5ccc(C(C)C)cc5)c5cccc7c5oc5ccccc57)cccc4n6c23)cc1.Cc1ccc(N(c2cccc3c2oc2ccccc23)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5ccc(C)cc5)c5cccc7c5oc5ccccc57)cccc4n6c23)cc1.c1ccc(-c2ccccc2N(c2cccc3c2oc2ccccc23)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5ccccc5-c5ccccc5)c5cccc7c5oc5ccccc57)cccc4n6c23)cc1.

What is the InChIKey of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane?

The InChIKey is FIGXBMIOJDEFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N4O2.C72H50N4O2.C68H42N4O2.6CH4/c1-3-21-47(22-4-1)49-25-7-11-35-61(49)79(67-41-17-31-55-51-27-9-13-43-71(51)83-77(55)67)63-37-19-39-65-73(63)57-33-15-29-53-59-46-70-60(45-69(59)81(65)75(53)57)54-30-16-34-58-74-64(38-20-40-66(74)82(70)76(54)58)80(62-36-12-8-26-50(62)48-23-5-2-6-24-48)68-42-18-32-56-52-28-10-14-44-72(52)84-78(56)68;1-41(2)43-31-35-45(36-32-43)73(61-27-11-19-51-47-15-5-7-29-65(47)77-71(51)61)57-23-13-25-59-67(57)53-21-9-17-49-55-40-64-56(39-63(55)75(59)69(49)53)50-18-10-22-54-68-58(24-14-26-60(68)76(64)70(50)54)74(46-37-33-44(34-38-46)42(3)4)62-28-12-20-52-48-16-6-8-30-66(48)78-72(52)62;1-39-29-33-41(34-30-39)69(57-25-9-17-47-43-13-3-5-27-61(43)73-67(47)57)53-21-11-23-55-63(53)49-19-7-15-45-51-38-60-52(37-59(51)71(55)65(45)49)46-16-8-20-50-64-54(22-12-24-56(64)72(60)66(46)50)70(42-35-31-40(2)32-36-42)58-26-10-18-48-44-14-4-6-28-62(44)74-68(48)58;;;;;;/h1-46H;5-42H,1-4H3;3-38H,1-2H3;6*1H4.

What are the key properties of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane?

10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane has a molecular weight of 3117.84 g/mol, XLogP of 66.19, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(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(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;methane is sourced from PubChem (CID 163549997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).