4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene

C217H152 — CID 159287669

About 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene

4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene (PubChem CID 159287669) has the molecular formula C217H152 and a molecular weight of 2759.60 g/mol. Its IUPAC name is 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene.

Molecular Properties

• Compound Name: 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
• PubChem CID: 159287669
• Molecular Formula: C217H152
• Molecular Weight: 2759.60 g/mol
• Exact Mass: 2757.19
• IUPAC Name: 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc34)-c3ccccc3-6)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccccc3-6)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7ccc(-c8ccccc8)c8c7c(cc6c6ccc(-c7ccccc7)cc56)-c5ccccc5-8)ccc3-4)cc21.Cc1cc(C)c2c(c1)-c1cc3c4ccc(C)cc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccccc6)ccc4-5)cc3c3ccc(C)c-2c13
• InChI: InChI=1S/C66H46.C57H38.C49H38.C45H30/c1-65(2)59-22-14-13-20-48(59)49-28-24-42(34-60(49)65)43-25-29-50-51-30-26-44(36-62(51)66(3,4)61(50)35-43)54-37-57-53-32-31-45(40-17-9-6-10-18-40)63-52-21-12-11-19-46(52)58(64(53)63)38-56(57)47-27-23-41(33-55(47)54)39-15-7-5-8-16-39;1-57(2)53-31-39(36-16-8-4-9-17-36)23-26-44(53)45-27-24-40(32-54(45)57)48-33-51-47-29-28-41(37-18-10-5-11-19-37)55-46-21-13-12-20-42(46)52(56(47)55)34-50(51)43-25-22-38(30-49(43)48)35-14-6-3-7-15-35;1-27-12-16-34-39(21-27)38(25-41-37-17-13-29(3)47-46-30(4)20-28(2)22-42(46)43(48(37)47)26-40(34)41)33-15-19-36-35-18-14-32(31-10-8-7-9-11-31)23-44(35)49(5,6)45(36)24-33;1-45(2)42-23-28(27-11-4-3-5-12-27)19-21-34(42)35-22-20-29(24-43(35)45)38-25-40-37-18-10-17-36-30-13-6-9-16-33(30)41(44(36)37)26-39(40)32-15-8-7-14-31(32)38/h5-38H,1-4H3;3-34H,1-2H3;7-26H,1-6H3;3-26H,1-2H3
• InChIKey: KZSHCMTWLGAVCY-UHFFFAOYSA-N
• XLogP: 59.94
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2759.60
LogP ≤ 5	59.94
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 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?

The IUPAC name of 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene (CID 159287669) is 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene.

What is the SMILES notation for 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?

The canonical SMILES for 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc34)-c3ccccc3-6)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccccc3-6)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c7ccc(-c8ccccc8)c8c7c(cc6c6ccc(-c7ccccc7)cc56)-c5ccccc5-8)ccc3-4)cc21.Cc1cc(C)c2c(c1)-c1cc3c4ccc(C)cc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccccc6)ccc4-5)cc3c3ccc(C)c-2c13.

What is the InChIKey of 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?

The InChIKey is KZSHCMTWLGAVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46.C57H38.C49H38.C45H30/c1-65(2)59-22-14-13-20-48(59)49-28-24-42(34-60(49)65)43-25-29-50-51-30-26-44(36-62(51)66(3,4)61(50)35-43)54-37-57-53-32-31-45(40-17-9-6-10-18-40)63-52-21-12-11-19-46(52)58(64(53)63)38-56(57)47-27-23-41(33-55(47)54)39-15-7-5-8-16-39;1-57(2)53-31-39(36-16-8-4-9-17-36)23-26-44(53)45-27-24-40(32-54(45)57)48-33-51-47-29-28-41(37-18-10-5-11-19-37)55-46-21-13-12-20-42(46)52(56(47)55)34-50(51)43-25-22-38(30-49(43)48)35-14-6-3-7-15-35;1-27-12-16-34-39(21-27)38(25-41-37-17-13-29(3)47-46-30(4)20-28(2)22-42(46)43(48(37)47)26-40(34)41)33-15-19-36-35-18-14-32(31-10-8-7-9-11-31)23-44(35)49(5,6)45(36)24-33;1-45(2)42-23-28(27-11-4-3-5-12-27)19-21-34(42)35-22-20-29(24-43(35)45)38-25-40-37-18-10-17-36-30-13-6-9-16-33(30)41(44(36)37)26-39(40)32-15-8-7-14-31(32)38/h5-38H,1-4H3;3-34H,1-2H3;7-26H,1-6H3;3-26H,1-2H3.

What are the key properties of 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?

4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene has a molecular weight of 2759.60 g/mol, XLogP of 59.94, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene is sourced from PubChem (CID 159287669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).