7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene

C74H84 — CID 159593799

About 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene

7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene (PubChem CID 159593799) has the molecular formula C74H84 and a molecular weight of 973.49 g/mol. Its IUPAC name is 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene.

Molecular Properties

• Compound Name: 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
• PubChem CID: 159593799
• Molecular Formula: C74H84
• Molecular Weight: 973.49 g/mol
• Exact Mass: 972.66
• IUPAC Name: 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
• SMILES: CCCCC1=Cc2c(C)c(C)c3c(c(C)c(C)c4c5c(C)c(C)c6c(c5c(C)c(C)c34)CC(C)=C6)c2C1.CCCCC1=Cc2c(c(C)c(C)c3c2c(C)c(C)c2c4c(C)c(C)c5c(c4c(C)c(C)c32)C=C(C)C5)C1
• InChI: InChI=1S/2C37H42/c2*1-11-12-13-27-16-29-20(4)22(6)35-33(31(29)17-27)24(8)26(10)36-34-21(5)19(3)28-14-18(2)15-30(28)32(34)23(7)25(9)37(35)36/h15,17H,11-14,16H2,1-10H3;14,16H,11-13,15,17H2,1-10H3
• InChIKey: MKOLVUXRFPZFDZ-UHFFFAOYSA-N
• XLogP: 21.41
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.49
LogP ≤ 5	21.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene?

The IUPAC name of 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene (CID 159593799) is 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene.

What is the SMILES notation for 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene?

The canonical SMILES for 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene is CCCCC1=Cc2c(C)c(C)c3c(c(C)c(C)c4c5c(C)c(C)c6c(c5c(C)c(C)c34)CC(C)=C6)c2C1.CCCCC1=Cc2c(c(C)c(C)c3c2c(C)c(C)c2c4c(C)c(C)c5c(c4c(C)c(C)c32)C=C(C)C5)C1.

What is the InChIKey of 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene?

The InChIKey is MKOLVUXRFPZFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H42/c2*1-11-12-13-27-16-29-20(4)22(6)35-33(31(29)17-27)24(8)26(10)36-34-21(5)19(3)28-14-18(2)15-30(28)32(34)23(7)25(9)37(35)36/h15,17H,11-14,16H2,1-10H3;14,16H,11-13,15,17H2,1-10H3.

What are the key properties of 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene?

7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene has a molecular weight of 973.49 g/mol, XLogP of 21.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene;7-butyl-3,4,11,12,15,16,19,23,24-nonamethylhexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene is sourced from PubChem (CID 159593799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).