24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene

C53H40F2 — CID 88998717

IUPAC24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene
SMILESCC1(C)c2ccccc2-c2c1c1c(c3c2C(C)(C)c2cc4c(-c5ccc(F)cc5)c5ccccc5c(-c5ccc(F)cc5)c4cc2-3)C(C)(C)c2ccccc2-1
InChIInChI=1S/C53H40F2/c1-51(2)40-17-11-10-16-36(40)46-48(51)45-35-15-9-12-18-41(35)52(3,4)49(45)47-39-27-37-38(28-42(39)53(5,6)50(46)47)44(30-21-25-32(55)26-22-30)34-14-8-7-13-33(34)43(37)29-19-23-31(54)24-20-29/h7-28H,1-6H3
InChIKeyVSONSXUYLIBPTL-UHFFFAOYSA-N
MW714.90 g/mol
LogP14.52
Rot. Bonds2

About 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene

24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene (PubChem CID 88998717) has the molecular formula C53H40F2 and a molecular weight of 714.90 g/mol. Its IUPAC name is 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene.

Molecular Properties

Compound Name24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene
PubChem CID88998717
Molecular FormulaC53H40F2
Molecular Weight714.90 g/mol
Exact Mass714.31
IUPAC Name24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene
SMILESCC1(C)c2ccccc2-c2c1c1c(c3c2C(C)(C)c2cc4c(-c5ccc(F)cc5)c5ccccc5c(-c5ccc(F)cc5)c4cc2-3)C(C)(C)c2ccccc2-1
InChIInChI=1S/C53H40F2/c1-51(2)40-17-11-10-16-36(40)46-48(51)45-35-15-9-12-18-41(35)52(3,4)49(45)47-39-27-37-38(28-42(39)53(5,6)50(46)47)44(30-21-25-32(55)26-22-30)34-14-8-7-13-33(34)43(37)29-19-23-31(54)24-20-29/h7-28H,1-6H3
InChIKeyVSONSXUYLIBPTL-UHFFFAOYSA-N
XLogP14.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.90
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene with MolForge

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Related Compounds

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9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
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9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
CID 59195494
6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene
CID 90805748
9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene
CID 20822374
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
8-(3,5-difluorophenyl)-25,32-bis(4-fluorophenyl)-5,5-dimethylundecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene
CID 89417297
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
25',32'-bis(4-fluorophenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6,8,10,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene]
CID 89417299
6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
CID 161226444
21,21-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 157131299
21-fluoranthen-3-yl-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175506

Frequently Asked Questions

What is the IUPAC name of 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene?
The IUPAC name of 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene (CID 88998717) is 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene.
What is the SMILES notation for 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene?
The canonical SMILES for 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene is CC1(C)c2ccccc2-c2c1c1c(c3c2C(C)(C)c2cc4c(-c5ccc(F)cc5)c5ccccc5c(-c5ccc(F)cc5)c4cc2-3)C(C)(C)c2ccccc2-1.
What is the InChIKey of 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene?
The InChIKey is VSONSXUYLIBPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40F2/c1-51(2)40-17-11-10-16-36(40)46-48(51)45-35-15-9-12-18-41(35)52(3,4)49(45)47-39-27-37-38(28-42(39)53(5,6)50(46)47)44(30-21-25-32(55)26-22-30)34-14-8-7-13-33(34)43(37)29-19-23-31(54)24-20-29/h7-28H,1-6H3.
What are the key properties of 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene?
24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene has a molecular weight of 714.90 g/mol, XLogP of 14.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene is sourced from PubChem (CID 88998717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).