8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene

C48H38N2 — CID 123369895

About 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene

8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene (PubChem CID 123369895) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene.

Molecular Properties

• Compound Name: 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene
• PubChem CID: 123369895
• Molecular Formula: C48H38N2
• Molecular Weight: 642.85 g/mol
• Exact Mass: 642.30
• IUPAC Name: 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene
• SMILES: CC1(C)c2cc3c(cc2-n2c4ccccc4c4cc(C5=CCCC=C5)cc1c42)C(C)(C)c1cc(-c2ccccc2)cc2c4ccccc4n-3c12
• InChI: InChI=1S/C48H38N2/c1-47(2)37-27-44-38(28-43(37)49-41-21-13-11-19-33(41)35-23-31(25-39(47)45(35)49)29-15-7-5-8-16-29)48(3,4)40-26-32(30-17-9-6-10-18-30)24-36-34-20-12-14-22-42(34)50(44)46(36)40/h5,7-9,11-28H,6,10H2,1-4H3
• InChIKey: JSRVWTDVAAIJSQ-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.85
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene?

The IUPAC name of 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene (CID 123369895) is 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene.

What is the SMILES notation for 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene?

The canonical SMILES for 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene is CC1(C)c2cc3c(cc2-n2c4ccccc4c4cc(C5=CCCC=C5)cc1c42)C(C)(C)c1cc(-c2ccccc2)cc2c4ccccc4n-3c12.

What is the InChIKey of 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene?

The InChIKey is JSRVWTDVAAIJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2/c1-47(2)37-27-44-38(28-43(37)49-41-21-13-11-19-33(41)35-23-31(25-39(47)45(35)49)29-15-7-5-8-16-29)48(3,4)40-26-32(30-17-9-6-10-18-30)24-36-34-20-12-14-22-42(34)50(44)46(36)40/h5,7-9,11-28H,6,10H2,1-4H3.

What are the key properties of 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene?

8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene has a molecular weight of 642.85 g/mol, XLogP of 12.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclohexa-1,5-dien-1-yl-5,5,21,21-tetramethyl-24-phenyl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11,13,15,19,22,24,26(33),27,29,31-pentadecaene is sourced from PubChem (CID 123369895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).