10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine

C184H116N8O4 — CID 158806311

About 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine

10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 158806311) has the molecular formula C184H116N8O4 and a molecular weight of 2503.00 g/mol. Its IUPAC name is 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine
• PubChem CID: 158806311
• Molecular Formula: C184H116N8O4
• Molecular Weight: 2503.00 g/mol
• Exact Mass: 2500.91
• IUPAC Name: 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine
• SMILES: Cc1ccc(-c2ccccc2)cc1N(c1cccc2c1oc1ccccc12)c1cccc2c1c1cccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cccc2c3c(N(c4cc(-c6ccccc6)ccc4C)c4cccc6c4oc4ccccc46)cccc3n5c21.Cc1ccc2c(oc3ccccc32)c1N(c1ccccc1)c1ccc(-c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(-c5ccc(N(c7ccccc7)c7c(C)ccc8c7oc7ccccc78)cc5)cccc4n6c32)cc1
• InChI: InChI=1S/2C92H58N4O2/c1-55-49-51-61(57-25-7-3-8-26-57)53-77(55)93(75-45-21-35-65-63-33-15-17-47-79(63)97-91(65)75)71-41-23-43-73-83(71)67-37-19-39-69-85-82(60-31-13-6-14-32-60)90-86(81(59-29-11-5-12-30-59)89(85)95(73)87(67)69)70-40-20-38-68-84-72(42-24-44-74(84)96(90)88(68)70)94(78-54-62(52-50-56(78)2)58-27-9-4-10-28-58)76-46-22-36-66-64-34-16-18-48-80(64)98-92(66)76;1-55-43-53-69-67-31-15-17-41-77(67)97-91(69)85(55)93(61-27-11-5-12-28-61)63-49-45-57(46-50-63)65-33-21-39-75-81(65)71-35-19-37-73-83-80(60-25-9-4-10-26-60)90-84(79(59-23-7-3-8-24-59)89(83)95(75)87(71)73)74-38-20-36-72-82-66(34-22-40-76(82)96(90)88(72)74)58-47-51-64(52-48-58)94(62-29-13-6-14-30-62)86-56(2)44-54-70-68-32-16-18-42-78(68)98-92(70)86/h2*3-54H,1-2H3
• InChIKey: IUCSNFNXZLELNC-UHFFFAOYSA-N
• XLogP: 52.02
• TPSA: 83.16 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2503.00
LogP ≤ 5	52.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The IUPAC name of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine (CID 158806311) is 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The canonical SMILES for 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine is Cc1ccc(-c2ccccc2)cc1N(c1cccc2c1oc1ccccc12)c1cccc2c1c1cccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cccc2c3c(N(c4cc(-c6ccccc6)ccc4C)c4cccc6c4oc4ccccc46)cccc3n5c21.Cc1ccc2c(oc3ccccc32)c1N(c1ccccc1)c1ccc(-c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(-c5ccc(N(c7ccccc7)c7c(C)ccc8c7oc7ccccc78)cc5)cccc4n6c32)cc1.

What is the InChIKey of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The InChIKey is IUCSNFNXZLELNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C92H58N4O2/c1-55-49-51-61(57-25-7-3-8-26-57)53-77(55)93(75-45-21-35-65-63-33-15-17-47-79(63)97-91(65)75)71-41-23-43-73-83(71)67-37-19-39-69-85-82(60-31-13-6-14-32-60)90-86(81(59-29-11-5-12-30-59)89(85)95(73)87(67)69)70-40-20-38-68-84-72(42-24-44-74(84)96(90)88(68)70)94(78-54-62(52-50-56(78)2)58-27-9-4-10-28-58)76-46-22-36-66-64-34-16-18-48-80(64)98-92(66)76;1-55-43-53-69-67-31-15-17-41-77(67)97-91(69)85(55)93(61-27-11-5-12-28-61)63-49-45-57(46-50-63)65-33-21-39-75-81(65)71-35-19-37-73-83-80(60-25-9-4-10-26-60)90-84(79(59-23-7-3-8-24-59)89(83)95(75)87(71)73)74-38-20-36-72-82-66(34-22-40-76(82)96(90)88(72)74)58-47-51-64(52-48-58)94(62-29-13-6-14-30-62)86-56(2)44-54-70-68-32-16-18-42-78(68)98-92(70)86/h2*3-54H,1-2H3.

What are the key properties of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine?

10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 2503.00 g/mol, XLogP of 52.02, 20 rotatable bonds, 0 hydrogen bond donors, and 12 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(2-methyl-5-phenylphenyl)-3,18-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-10,25-diamine;3-methyl-N-[4-[25-[4-(N-(3-methyldibenzofuran-4-yl)anilino)phenyl]-3,18-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),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 158806311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).