13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene

C45H30 — CID 142347601

About 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene

13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene (PubChem CID 142347601) has the molecular formula C45H30 and a molecular weight of 570.74 g/mol. Its IUPAC name is 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene
• PubChem CID: 142347601
• Molecular Formula: C45H30
• Molecular Weight: 570.74 g/mol
• Exact Mass: 570.23
• IUPAC Name: 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene
• SMILES: CC1(C)c2ccc3ccccc3c2-c2c1cc1c3c(cccc23)-c2c-1c(-c1ccccc1)c1ccccc1c2-c1ccccc1
• InChI: InChI=1S/C45H30/c1-45(2)36-25-24-27-14-9-10-19-30(27)41(36)42-33-22-13-23-34-40(33)35(26-37(42)45)44-39(29-17-7-4-8-18-29)32-21-12-11-20-31(32)38(43(34)44)28-15-5-3-6-16-28/h3-26H,1-2H3
• InChIKey: PISFDZSEZCKJAY-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.74
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene?

The IUPAC name of 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene (CID 142347601) is 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene.

What is the SMILES notation for 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene?

The canonical SMILES for 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene is CC1(C)c2ccc3ccccc3c2-c2c1cc1c3c(cccc23)-c2c-1c(-c1ccccc1)c1ccccc1c2-c1ccccc1.

What is the InChIKey of 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene?

The InChIKey is PISFDZSEZCKJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30/c1-45(2)36-25-24-27-14-9-10-19-30(27)41(36)42-33-22-13-23-34-40(33)35(26-37(42)45)44-39(29-17-7-4-8-18-29)32-21-12-11-20-31(32)38(43(34)44)28-15-5-3-6-16-28/h3-26H,1-2H3.

What are the key properties of 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene?

13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene has a molecular weight of 570.74 g/mol, XLogP of 12.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene is sourced from PubChem (CID 142347601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).