8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine

C172H108N8O2S2 — CID 159421757

About 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine

8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine (PubChem CID 159421757) has the molecular formula C172H108N8O2S2 and a molecular weight of 2382.94 g/mol. Its IUPAC name is 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

• Compound Name: 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine
• PubChem CID: 159421757
• Molecular Formula: C172H108N8O2S2
• Molecular Weight: 2382.94 g/mol
• Exact Mass: 2380.80
• IUPAC Name: 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine
• SMILES: Cc1ccccc1N(c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4C)c4c(C)ccc5c4oc4ccccc45)cc3n6c21)c1c(C)ccc2c1oc1ccccc12.c1ccc(-c2c3c4cccc5c6ccc(-c7ccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)cc7)cc6n(c3c(-c3ccccc3)c3c6cccc7c8ccc(-c9ccc(N(c%10ccccc%10)c%10cccc%11c%10sc%10ccccc%10%11)cc9)cc8n(c23)c76)c54)cc1
• InChI: InChI=1S/C90H54N4S2.C82H54N4O2/c1-5-21-57(22-6-1)81-83-73-35-17-31-69-66-52-46-60(56-43-49-64(50-44-56)92(62-27-11-4-12-28-62)76-38-20-34-72-68-30-14-16-40-80(68)96-90(72)76)54-78(66)94(85(69)73)88(83)82(58-23-7-2-8-24-58)84-74-36-18-32-70-65-51-45-59(53-77(65)93(86(70)74)87(81)84)55-41-47-63(48-42-55)91(61-25-9-3-10-26-61)75-37-19-33-71-67-29-13-15-39-79(67)95-89(71)75;1-47-21-11-15-33-65(47)83(75-49(3)37-41-61-57-27-13-17-35-69(57)87-81(61)75)53-39-43-55-59-29-19-31-63-73-72(52-25-9-6-10-26-52)80-74(71(51-23-7-5-8-24-51)79(73)85(77(59)63)67(55)45-53)64-32-20-30-60-56-44-40-54(46-68(56)86(80)78(60)64)84(66-34-16-12-22-48(66)2)76-50(4)38-42-62-58-28-14-18-36-70(58)88-82(62)76/h1-54H;5-46H,1-4H3
• InChIKey: LPVSSPQBPBYZJE-UHFFFAOYSA-N
• XLogP: 49.62
• TPSA: 56.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2382.94
LogP ≤ 5	49.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine?

The IUPAC name of 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine (CID 159421757) is 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine.

What is the SMILES notation for 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine?

The canonical SMILES for 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine is Cc1ccccc1N(c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4C)c4c(C)ccc5c4oc4ccccc45)cc3n6c21)c1c(C)ccc2c1oc1ccccc12.c1ccc(-c2c3c4cccc5c6ccc(-c7ccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)cc7)cc6n(c3c(-c3ccccc3)c3c6cccc7c8ccc(-c9ccc(N(c%10ccccc%10)c%10cccc%11c%10sc%10ccccc%10%11)cc9)cc8n(c23)c76)c54)cc1.

What is the InChIKey of 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine?

The InChIKey is LPVSSPQBPBYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N4S2.C82H54N4O2/c1-5-21-57(22-6-1)81-83-73-35-17-31-69-66-52-46-60(56-43-49-64(50-44-56)92(62-27-11-4-12-28-62)76-38-20-34-72-68-30-14-16-40-80(68)96-90(72)76)54-78(66)94(85(69)73)88(83)82(58-23-7-2-8-24-58)84-74-36-18-32-70-65-51-45-59(53-77(65)93(86(70)74)87(81)84)55-41-47-63(48-42-55)91(61-25-9-3-10-26-61)75-37-19-33-71-67-29-13-15-39-79(67)95-89(71)75;1-47-21-11-15-33-65(47)83(75-49(3)37-41-61-57-27-13-17-35-69(57)87-81(61)75)53-39-43-55-59-29-19-31-63-73-72(52-25-9-6-10-26-52)80-74(71(51-23-7-5-8-24-51)79(73)85(77(59)63)67(55)45-53)64-32-20-30-60-56-44-40-54(46-68(56)86(80)78(60)64)84(66-34-16-12-22-48(66)2)76-50(4)38-42-62-58-28-14-18-36-70(58)88-82(62)76/h1-54H;5-46H,1-4H3.

What are the key properties of 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine?

8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine has a molecular weight of 2382.94 g/mol, XLogP of 49.62, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N-bis(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine;N-[4-[23-[4-(N-dibenzothiophen-4-ylanilino)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(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 159421757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).