8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene

C199H146 — CID 160624185

About 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene

8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene (PubChem CID 160624185) has the molecular formula C199H146 and a molecular weight of 2537.36 g/mol. Its IUPAC name is 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene.

Molecular Properties

• Compound Name: 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
• PubChem CID: 160624185
• Molecular Formula: C199H146
• Molecular Weight: 2537.36 g/mol
• Exact Mass: 2535.14
• IUPAC Name: 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(CCc3ccc4c(c3)c3cc5c(-c6cccc7ccccc67)c6c7ccc(-c8ccccc8)c8cccc(c6c(-c6ccccc6)c5c5cccc4c35)c87)cc21.Cc1cc2c(-c3c(C)cc(C(C)(C)C)cc3C)ccc3c4c(-c5ccccc5)c5c(cc6c7ccc(-c8c(C)cc(C(C)(C)C)cc8C)cc7c7cccc5c76)c(-c5ccccc5)c4c(c1)c23.Cc1cc2c3c(-c4ccccc4)c4c5cccc6c(-c7c(C)cccc7C)ccc(c4c(-c4ccccc4)c3cc3c4c(-c7ccccc7)ccc(-c7ccccc7)c4c(c1)c23)c65
• InChI: InChI=1S/C69H46.C67H58.C63H42/c1-69(2)60-29-12-11-23-49(60)50-35-33-42(39-61(50)69)31-30-41-32-34-48-53-26-15-27-54-64(53)58(57(48)38-41)40-59-65(52-24-13-21-44-18-9-10-22-46(44)52)68-56-37-36-47(43-16-5-3-6-17-43)51-25-14-28-55(63(51)56)67(68)62(66(54)59)45-19-7-4-8-20-45;1-37-29-53-49(58-40(4)33-46(34-41(58)5)67(9,10)11)27-28-51-62(53)55(30-37)65-59(42-19-14-12-15-20-42)56-36-54-47-26-25-44(57-38(2)31-45(32-39(57)3)66(6,7)8)35-52(47)48-23-18-24-50(61(48)54)63(56)60(64(51)65)43-21-16-13-17-22-43;1-37-34-50-58-51(35-37)61-52(36-53(58)60-45(41-22-10-5-11-23-41)31-30-44(59(50)60)40-20-8-4-9-21-40)55(42-24-12-6-13-25-42)62-49-33-32-47(54-38(2)18-16-19-39(54)3)46-28-17-29-48(57(46)49)63(62)56(61)43-26-14-7-15-27-43/h3-29,32-40H,30-31H2,1-2H3;12-36H,1-11H3;4-36H,1-3H3
• InChIKey: RHBSYOKVOQUMMG-UHFFFAOYSA-N
• XLogP: 56.21
• TPSA: 0.00 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2537.36
LogP ≤ 5	56.21
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 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

The IUPAC name of 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene (CID 160624185) is 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene.

What is the SMILES notation for 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

The canonical SMILES for 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene is CC1(C)c2ccccc2-c2ccc(CCc3ccc4c(c3)c3cc5c(-c6cccc7ccccc67)c6c7ccc(-c8ccccc8)c8cccc(c6c(-c6ccccc6)c5c5cccc4c35)c87)cc21.Cc1cc2c(-c3c(C)cc(C(C)(C)C)cc3C)ccc3c4c(-c5ccccc5)c5c(cc6c7ccc(-c8c(C)cc(C(C)(C)C)cc8C)cc7c7cccc5c76)c(-c5ccccc5)c4c(c1)c23.Cc1cc2c3c(-c4ccccc4)c4c5cccc6c(-c7c(C)cccc7C)ccc(c4c(-c4ccccc4)c3cc3c4c(-c7ccccc7)ccc(-c7ccccc7)c4c(c1)c23)c65.

What is the InChIKey of 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

The InChIKey is RHBSYOKVOQUMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46.C67H58.C63H42/c1-69(2)60-29-12-11-23-49(60)50-35-33-42(39-61(50)69)31-30-41-32-34-48-53-26-15-27-54-64(53)58(57(48)38-41)40-59-65(52-24-13-21-44-18-9-10-22-46(44)52)68-56-37-36-47(43-16-5-3-6-17-43)51-25-14-28-55(63(51)56)67(68)62(66(54)59)45-19-7-4-8-20-45;1-37-29-53-49(58-40(4)33-46(34-41(58)5)67(9,10)11)27-28-51-62(53)55(30-37)65-59(42-19-14-12-15-20-42)56-36-54-47-26-25-44(57-38(2)31-45(32-39(57)3)66(6,7)8)35-52(47)48-23-18-24-50(61(48)54)63(56)60(64(51)65)43-21-16-13-17-22-43;1-37-34-50-58-51(35-37)61-52(36-53(58)60-45(41-22-10-5-11-23-41)31-30-44(59(50)60)40-20-8-4-9-21-40)55(42-24-12-6-13-25-42)62-49-33-32-47(54-38(2)18-16-19-39(54)3)46-28-17-29-48(57(46)49)63(62)56(61)43-26-14-7-15-27-43/h3-29,32-40H,30-31H2,1-2H3;12-36H,1-11H3;4-36H,1-3H3.

What are the key properties of 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene has a molecular weight of 2537.36 g/mol, XLogP of 56.21, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;21-[2-(9,9-dimethylfluoren-2-yl)ethyl]-15-naphthalen-1-yl-3,10-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-27-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene is sourced from PubChem (CID 160624185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).