7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene

C42H24N2 — CID 164841395

About 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene

7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene (PubChem CID 164841395) has the molecular formula C42H24N2 and a molecular weight of 570.75 g/mol. Its IUPAC name is 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene.

Molecular Properties

• Compound Name: 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene
• PubChem CID: 164841395
• Molecular Formula: C42H24N2
• Molecular Weight: 570.75 g/mol
• Exact Mass: 570.28
• IUPAC Name: 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1c([2H])c([2H])c([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3n5c21
• InChI: InChI=1S/C42H24N2/c1-3-13-25(14-4-1)35-37-31-21-11-19-29-28-18-8-10-24-34(28)44(39(29)31)42(37)36(26-15-5-2-6-16-26)38-32-22-12-20-30-27-17-7-9-23-33(27)43(40(30)32)41(35)38/h1-24H/i7D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D
• InChIKey: MWQCFKKGPZPFBT-MENIWLDKSA-N
• XLogP: 11.32
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.75
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene?

The IUPAC name of 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene (CID 164841395) is 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene.

What is the SMILES notation for 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene?

The canonical SMILES for 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1c([2H])c([2H])c([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3n5c21.

What is the InChIKey of 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene?

The InChIKey is MWQCFKKGPZPFBT-MENIWLDKSA-N. The full InChI is InChI=1S/C42H24N2/c1-3-13-25(14-4-1)35-37-31-21-11-19-29-28-18-8-10-24-34(28)44(39(29)31)42(37)36(26-15-5-2-6-16-26)38-32-22-12-20-30-27-17-7-9-23-33(27)43(40(30)32)41(35)38/h1-24H/i7D,8D,9D,10D,11D,12D,17D,18D,19D,20D,21D,22D,23D,24D.

What are the key properties of 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene?

7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene has a molecular weight of 570.75 g/mol, XLogP of 11.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8,9,10,13,14,15,22,23,24,25,28,29,30-tetradecadeuterio-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-pentadecaene is sourced from PubChem (CID 164841395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).