10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine

C70H52N4 — CID 159080988

About 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine

10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine (PubChem CID 159080988) has the molecular formula C70H52N4 and a molecular weight of 949.21 g/mol. Its IUPAC name is 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine.

Molecular Properties

• Compound Name: 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine
• PubChem CID: 159080988
• Molecular Formula: C70H52N4
• Molecular Weight: 949.21 g/mol
• Exact Mass: 948.42
• IUPAC Name: 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine
• SMILES: Cc1ccc(N(C2=CCC(C)C=C2)c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(N(c5ccc(C)cc5)c5ccc(C)cc5)cccc4n6c32)cc1
• InChI: InChI=1S/C70H52N4/c1-43-27-35-49(36-28-43)71(50-37-29-44(2)30-38-50)57-23-13-25-59-63(57)53-19-11-21-55-65-62(48-17-9-6-10-18-48)70-66(61(47-15-7-5-8-16-47)69(65)73(59)67(53)55)56-22-12-20-54-64-58(24-14-26-60(64)74(70)68(54)56)72(51-39-31-45(3)32-40-51)52-41-33-46(4)34-42-52/h5-33,35-42,46H,34H2,1-4H3
• InChIKey: KAVVMEKWUYJARC-UHFFFAOYSA-N
• XLogP: 19.33
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.21
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine?

The IUPAC name of 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine (CID 159080988) is 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine.

What is the SMILES notation for 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine?

The canonical SMILES for 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine is Cc1ccc(N(C2=CCC(C)C=C2)c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(N(c5ccc(C)cc5)c5ccc(C)cc5)cccc4n6c32)cc1.

What is the InChIKey of 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine?

The InChIKey is KAVVMEKWUYJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N4/c1-43-27-35-49(36-28-43)71(50-37-29-44(2)30-38-50)57-23-13-25-59-63(57)53-19-11-21-55-65-62(48-17-9-6-10-18-48)70-66(61(47-15-7-5-8-16-47)69(65)73(59)67(53)55)56-22-12-20-54-64-58(24-14-26-60(64)74(70)68(54)56)72(51-39-31-45(3)32-40-51)52-41-33-46(4)34-42-52/h5-33,35-42,46H,34H2,1-4H3.

What are the key properties of 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine?

10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine has a molecular weight of 949.21 g/mol, XLogP of 19.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N,25-N,25-N-tris(4-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-10,25-diamine is sourced from PubChem (CID 159080988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).