22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene

C74H75ClO — CID 146436897

About 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene

22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene (PubChem CID 146436897) has the molecular formula C74H75ClO and a molecular weight of 1015.87 g/mol. Its IUPAC name is 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene.

Molecular Properties

• Compound Name: 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene
• PubChem CID: 146436897
• Molecular Formula: C74H75ClO
• Molecular Weight: 1015.87 g/mol
• Exact Mass: 1014.55
• IUPAC Name: 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene
• SMILES: CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7oc8ccccc8c57)-c5cc7c(cc5C6(C)C)-c5ccc(Cl)cc5C7(C)C)ccc3-4)cc21
• InChI: InChI=1S/C74H75ClO/c1-9-11-13-15-17-23-37-74(38-24-18-16-14-12-10-2)59-27-21-19-25-50(59)53-34-30-47(40-65(53)74)46-29-33-51-52-35-31-48(41-61(52)71(3,4)60(51)39-46)56-43-66-69(70-68(56)55-26-20-22-28-67(55)76-70)58-45-63-57(44-64(58)73(66,7)8)54-36-32-49(75)42-62(54)72(63,5)6/h19-22,25-36,39-45H,9-18,23-24,37-38H2,1-8H3
• InChIKey: QWJNYNAQCIXMTF-UHFFFAOYSA-N
• XLogP: 22.26
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 16
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.87
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene?

The IUPAC name of 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene (CID 146436897) is 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene.

What is the SMILES notation for 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene?

The canonical SMILES for 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7oc8ccccc8c57)-c5cc7c(cc5C6(C)C)-c5ccc(Cl)cc5C7(C)C)ccc3-4)cc21.

What is the InChIKey of 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene?

The InChIKey is QWJNYNAQCIXMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H75ClO/c1-9-11-13-15-17-23-37-74(38-24-18-16-14-12-10-2)59-27-21-19-25-50(59)53-34-30-47(40-65(53)74)46-29-33-51-52-35-31-48(41-61(52)71(3,4)60(51)39-46)56-43-66-69(70-68(56)55-26-20-22-28-67(55)76-70)58-45-63-57(44-64(58)73(66,7)8)54-36-32-49(75)42-62(54)72(63,5)6/h19-22,25-36,39-45H,9-18,23-24,37-38H2,1-8H3.

What are the key properties of 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene?

22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene has a molecular weight of 1015.87 g/mol, XLogP of 22.26, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene is sourced from PubChem (CID 146436897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).