N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine

C73H55N3 — CID 155083478

About N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine

N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine (PubChem CID 155083478) has the molecular formula C73H55N3 and a molecular weight of 974.26 g/mol. Its IUPAC name is N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine.

Molecular Properties

• Compound Name: N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine
• PubChem CID: 155083478
• Molecular Formula: C73H55N3
• Molecular Weight: 974.26 g/mol
• Exact Mass: 973.44
• IUPAC Name: N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine
• SMILES: CC(C)c1ccc(C(c2ccccc2)c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cccc4n6c32)cc1
• InChI: InChI=1S/C73H55N3/c1-45(2)47-37-39-52(40-38-47)63(49-21-9-5-10-22-49)55-29-19-34-60-66(55)56-30-17-32-58-68-65(51-25-13-7-14-26-51)73-69(64(50-23-11-6-12-24-50)72(68)75(60)70(56)58)59-33-18-31-57-67-61(35-20-36-62(67)76(73)71(57)59)74(53-27-15-8-16-28-53)54-43-41-48(42-44-54)46(3)4/h5-46,63H,1-4H3
• InChIKey: QDPWAHBSYGUFHN-UHFFFAOYSA-N
• XLogP: 20.22
• TPSA: 12.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.26
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine?

The IUPAC name of N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine (CID 155083478) is N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine.

What is the SMILES notation for N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine?

The canonical SMILES for N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine is CC(C)c1ccc(C(c2ccccc2)c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(N(c5ccccc5)c5ccc(C(C)C)cc5)cccc4n6c32)cc1.

What is the InChIKey of N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine?

The InChIKey is QDPWAHBSYGUFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H55N3/c1-45(2)47-37-39-52(40-38-47)63(49-21-9-5-10-22-49)55-29-19-34-60-66(55)56-30-17-32-58-68-65(51-25-13-7-14-26-51)73-69(64(50-23-11-6-12-24-50)72(68)75(60)70(56)58)59-33-18-31-57-67-61(35-20-36-62(67)76(73)71(57)59)74(53-27-15-8-16-28-53)54-43-41-48(42-44-54)46(3)4/h5-46,63H,1-4H3.

What are the key properties of N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine?

N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine has a molecular weight of 974.26 g/mol, XLogP of 20.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,3,18-triphenyl-25-[phenyl-(4-propan-2-ylphenyl)methyl]-N-(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaen-10-amine is sourced from PubChem (CID 155083478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).