7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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

C220H176N10O4Si3 — CID 162223278

About 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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 (PubChem CID 162223278) has the molecular formula C220H176N10O4Si3 and a molecular weight of 3108.15 g/mol. Its IUPAC name is 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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.

Molecular Properties

• Compound Name: 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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
• PubChem CID: 162223278
• Molecular Formula: C220H176N10O4Si3
• Molecular Weight: 3108.15 g/mol
• Exact Mass: 3105.32
• IUPAC Name: 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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
• SMILES: Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc3cc24)cc1.Cc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)ccc3cc24)cc1.[C-]#[N+]c1ccc(N(c2ccc(C)cc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccc(C#N)cc5)c5ccc([Si](C)(C)C)cc5)ccc3cc24)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6-c6ccccc6)ccc4cc35)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C68H46N2O.C54H52N2OSi.C50H38N4OSi.C48H40N2OSi/c1-7-19-47(20-8-1)51-33-37-65(61(41-51)49-23-11-3-12-24-49)69(57-27-15-5-16-28-57)59-35-31-53-43-63-64-44-54-32-36-60(40-56(54)46-68(64)71-67(63)45-55(53)39-59)70(58-29-17-6-18-30-58)66-38-34-52(48-21-9-2-10-22-48)42-62(66)50-25-13-4-14-26-50;1-35(2)38-11-19-45(20-12-38)55(44-17-9-37(5)10-18-44)48-23-15-40-31-51-52-32-41-16-24-49(30-43(41)34-54(52)57-53(51)33-42(40)29-48)56(46-21-13-39(14-22-46)36(3)4)47-25-27-50(28-26-47)58(6,7)8;1-33-6-14-40(15-7-33)53(42-20-12-39(52-2)13-21-42)44-18-10-35-28-47-48-29-36-11-19-45(27-38(36)31-50(48)55-49(47)30-37(35)26-44)54(41-16-8-34(32-51)9-17-41)43-22-24-46(25-23-43)56(3,4)5;1-33-15-19-40(20-16-33)49(38-11-7-5-8-12-38)42-21-17-34-29-45-46-30-35-18-22-43(28-37(35)32-48(46)51-47(45)31-36(34)27-42)50(39-13-9-6-10-14-39)41-23-25-44(26-24-41)52(2,3)4/h1-46H;9-36H,1-8H3;6-31H,1,3-5H3;5-32H,1-4H3
• InChIKey: ZUKNJJRJMUPDAU-UHFFFAOYSA-N
• XLogP: 63.23
• TPSA: 106.63 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 33
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3108.15
LogP ≤ 5	63.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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?

The IUPAC name of 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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 (CID 162223278) is 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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.

What is the SMILES notation for 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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?

The canonical SMILES for 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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 is Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccc(C(C)C)cc5)c5ccc([Si](C)(C)C)cc5)ccc3cc24)cc1.Cc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)ccc3cc24)cc1.[C-]#[N+]c1ccc(N(c2ccc(C)cc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccc(C#N)cc5)c5ccc([Si](C)(C)C)cc5)ccc3cc24)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6-c6ccccc6)ccc4cc35)c(-c3ccccc3)c2)cc1.

What is the InChIKey of 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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?

The InChIKey is ZUKNJJRJMUPDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2O.C54H52N2OSi.C50H38N4OSi.C48H40N2OSi/c1-7-19-47(20-8-1)51-33-37-65(61(41-51)49-23-11-3-12-24-49)69(57-27-15-5-16-28-57)59-35-31-53-43-63-64-44-54-32-36-60(40-56(54)46-68(64)71-67(63)45-55(53)39-59)70(58-29-17-6-18-30-58)66-38-34-52(48-21-9-2-10-22-48)42-62(66)50-25-13-4-14-26-50;1-35(2)38-11-19-45(20-12-38)55(44-17-9-37(5)10-18-44)48-23-15-40-31-51-52-32-41-16-24-49(30-43(41)34-54(52)57-53(51)33-42(40)29-48)56(46-21-13-39(14-22-46)36(3)4)47-25-27-50(28-26-47)58(6,7)8;1-33-6-14-40(15-7-33)53(42-20-12-39(52-2)13-21-42)44-18-10-35-28-47-48-29-36-11-19-45(27-38(36)31-50(48)55-49(47)30-37(35)26-44)54(41-16-8-34(32-51)9-17-41)43-22-24-46(25-23-43)56(3,4)5;1-33-15-19-40(20-16-33)49(38-11-7-5-8-12-38)42-21-17-34-29-45-46-30-35-18-22-43(28-37(35)32-48(46)51-47(45)31-36(34)27-42)50(39-13-9-6-10-14-39)41-23-25-44(26-24-41)52(2,3)4/h1-46H;9-36H,1-8H3;6-31H,1,3-5H3;5-32H,1-4H3.

What are the key properties of 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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 has a molecular weight of 3108.15 g/mol, XLogP of 63.23, 33 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N,17-N-bis(2,4-diphenylphenyl)-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;4-(N-[17-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]-4-trimethylsilylanilino)benzonitrile;7-N-(4-methylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-17-N-(4-trimethylsilylphenyl)-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-(4-methylphenyl)-7-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-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 is sourced from PubChem (CID 162223278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).