1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane

C79H88 — CID 162010293

About 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane

1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane (PubChem CID 162010293) has the molecular formula C79H88 and a molecular weight of 1037.57 g/mol. Its IUPAC name is 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane.

Molecular Properties

• Compound Name: 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane
• PubChem CID: 162010293
• Molecular Formula: C79H88
• Molecular Weight: 1037.57 g/mol
• Exact Mass: 1036.69
• IUPAC Name: 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane
• SMILES: C1C2C3C4C5CC6C7C8C9C%10CC%11C%12C%13C%14CC%15C%16C%17C%18C1C21C32C43C56C74C85C96C%11%10C%127C%138C%14%15C%169C%17%10C%181C21C34C52C76C89C%1012.CC1CCCC2CC3CC4CC5CC6CC7CCCC(C)C7C(C)C6C(C)C5C(C)C4C(C)C3C(C)C12
• InChI: InChI=1S/C42H26.C37H62/c1-5-13-14-6-2-11-19-22-20-12-4-8-16-15-7-3-10-18-21-17-9(1)23(5)27(13)28(14)24(6,11)33(19)36(22)34(20)26(8,12)30(16)29(15)25(7,10)32(18)35(21)31(17,23)37(27)38(28,33)42(36)40(30,34)39(29,32)41(35,37)42;1-19-10-8-12-26-14-28-16-30-18-31-17-29-15-27-13-9-11-20(2)33(27)22(4)35(29)24(6)37(31)25(7)36(30)23(5)34(28)21(3)32(19)26/h5-22H,1-4H2;19-37H,8-18H2,1-7H3
• InChIKey: YTJMQWQGKMBPGW-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 0.00 Ų
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.57
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane?

The IUPAC name of 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane (CID 162010293) is 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane.

What is the SMILES notation for 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane?

The canonical SMILES for 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane is C1C2C3C4C5CC6C7C8C9C%10CC%11C%12C%13C%14CC%15C%16C%17C%18C1C21C32C43C56C74C85C96C%11%10C%127C%138C%14%15C%169C%17%10C%181C21C34C52C76C89C%1012.CC1CCCC2CC3CC4CC5CC6CC7CCCC(C)C7C(C)C6C(C)C5C(C)C4C(C)C3C(C)C12.

What is the InChIKey of 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane?

The InChIKey is YTJMQWQGKMBPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26.C37H62/c1-5-13-14-6-2-11-19-22-20-12-4-8-16-15-7-3-10-18-21-17-9(1)23(5)27(13)28(14)24(6,11)33(19)36(22)34(20)26(8,12)30(16)29(15)25(7,10)32(18)35(21)31(17,23)37(27)38(28,33)42(36)40(30,34)39(29,32)41(35,37)42;1-19-10-8-12-26-14-28-16-30-18-31-17-29-15-27-13-9-11-20(2)33(27)22(4)35(29)24(6)37(31)25(7)36(30)23(5)34(28)21(3)32(19)26/h5-22H,1-4H2;19-37H,8-18H2,1-7H3.

What are the key properties of 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane?

1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane has a molecular weight of 1037.57 g/mol, XLogP of 13.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane is sourced from PubChem (CID 162010293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).