7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene

C42H24N2 — CID 177452271

About 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene

7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene (PubChem CID 177452271) has the molecular formula C42H24N2 and a molecular weight of 556.67 g/mol. Its IUPAC name is 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene.

Molecular Properties

• Compound Name: 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene
• PubChem CID: 177452271
• Molecular Formula: C42H24N2
• Molecular Weight: 556.67 g/mol
• Exact Mass: 556.19
• IUPAC Name: 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene
• SMILES: c1ccc(-c2ccc3c4cccc5c6ccc7c8cccc9c%10ccc(-c%11ccccc%11)cc%10n(c98)c7c6n(c3c2)c45)cc1
• InChI: InChI=1S/C42H24N2/c1-3-9-25(10-4-1)27-17-19-29-31-13-7-15-33-35-21-22-36-34-16-8-14-32-30-20-18-28(26-11-5-2-6-12-26)24-38(30)44(40(32)34)42(36)41(35)43(39(31)33)37(29)23-27/h1-24H
• InChIKey: GZESLZUDYCWACM-UHFFFAOYSA-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	556.67
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene?

The IUPAC name of 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene (CID 177452271) is 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene.

What is the SMILES notation for 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene?

The canonical SMILES for 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene is c1ccc(-c2ccc3c4cccc5c6ccc7c8cccc9c%10ccc(-c%11ccccc%11)cc%10n(c98)c7c6n(c3c2)c45)cc1.

What is the InChIKey of 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene?

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

What are the key properties of 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene?

7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene has a molecular weight of 556.67 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 7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene is sourced from PubChem (CID 177452271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).