2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene

C195H224Si — CID 158112944

IUPAC2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene
SMILESC=CCCCCCCC1(c2cc(C)ccc2C)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.C=CCCCCCCC1(c2ccc(C(C)(C)C)cc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.C=CCCCCCCC1(c2ccc(C)cc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.C=CCCCCCCC1(c2ccc([Si](C)(C)C)cc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.CCCCCCCCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21
InChIInChI=1S/C41H48.C40H48Si.C39H44.C38H42.C37H42/c1-7-9-10-11-12-15-28-41(35-25-23-34(24-26-35)40(4,5)6)38-17-14-13-16-36(38)37-27-22-33(29-39(37)41)32-20-18-31(19-21-32)30(3)8-2;1-7-9-10-11-12-15-28-40(34-23-25-35(26-24-34)41(4,5)6)38-17-14-13-16-36(38)37-27-22-33(29-39(37)40)32-20-18-31(19-21-32)30(3)8-2;1-6-8-9-10-11-14-25-39(37-26-28(3)17-18-30(37)5)36-16-13-12-15-34(36)35-24-23-33(27-38(35)39)32-21-19-31(20-22-32)29(4)7-2;1-5-7-8-9-10-13-26-38(33-23-16-28(3)17-24-33)36-15-12-11-14-34(36)35-25-22-32(27-37(35)38)31-20-18-30(19-21-31)29(4)6-2;1-4-6-7-8-9-15-26-37(32-16-11-10-12-17-32)35-19-14-13-18-33(35)34-25-24-31(27-36(34)37)30-22-20-29(21-23-30)28(3)5-2/h2*7,13-14,16-27,29-30H,1,8-12,15,28H2,2-6H3;6,12-13,15-24,26-27,29H,1,7-11,14,25H2,2-5H3;5,11-12,14-25,27,29H,1,6-10,13,26H2,2-4H3;10-14,16-25,27-28H,4-9,15,26H2,1-3H3
InChIKeyFQQVAHQISPRCPQ-UHFFFAOYSA-N
MW2596.02 g/mol
LogP56.53
Rot. Bonds56

About 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene

2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene (PubChem CID 158112944) has the molecular formula C195H224Si and a molecular weight of 2596.02 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene
PubChem CID158112944
Molecular FormulaC195H224Si
Molecular Weight2596.02 g/mol
Exact Mass2593.73
IUPAC Name2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene
SMILESC=CCCCCCCC1(c2cc(C)ccc2C)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.C=CCCCCCCC1(c2ccc(C(C)(C)C)cc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.C=CCCCCCCC1(c2ccc(C)cc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.C=CCCCCCCC1(c2ccc([Si](C)(C)C)cc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.CCCCCCCCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21
InChIInChI=1S/C41H48.C40H48Si.C39H44.C38H42.C37H42/c1-7-9-10-11-12-15-28-41(35-25-23-34(24-26-35)40(4,5)6)38-17-14-13-16-36(38)37-27-22-33(29-39(37)41)32-20-18-31(19-21-32)30(3)8-2;1-7-9-10-11-12-15-28-40(34-23-25-35(26-24-34)41(4,5)6)38-17-14-13-16-36(38)37-27-22-33(29-39(37)40)32-20-18-31(19-21-32)30(3)8-2;1-6-8-9-10-11-14-25-39(37-26-28(3)17-18-30(37)5)36-16-13-12-15-34(36)35-24-23-33(27-38(35)39)32-21-19-31(20-22-32)29(4)7-2;1-5-7-8-9-10-13-26-38(33-23-16-28(3)17-24-33)36-15-12-11-14-34(36)35-25-22-32(27-37(35)38)31-20-18-30(19-21-31)29(4)6-2;1-4-6-7-8-9-15-26-37(32-16-11-10-12-17-32)35-19-14-13-18-33(35)34-25-24-31(27-36(34)37)30-22-20-29(21-23-30)28(3)5-2/h2*7,13-14,16-27,29-30H,1,8-12,15,28H2,2-6H3;6,12-13,15-24,26-27,29H,1,7-11,14,25H2,2-5H3;5,11-12,14-25,27,29H,1,6-10,13,26H2,2-4H3;10-14,16-25,27-28H,4-9,15,26H2,1-3H3
InChIKeyFQQVAHQISPRCPQ-UHFFFAOYSA-N
XLogP56.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds56
Heavy Atoms196
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002596.02
LogP ≤ 556.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene?
The IUPAC name of 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene (CID 158112944) is 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene is C=CCCCCCCC1(c2cc(C)ccc2C)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.C=CCCCCCCC1(c2ccc(C(C)(C)C)cc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.C=CCCCCCCC1(c2ccc(C)cc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.C=CCCCCCCC1(c2ccc([Si](C)(C)C)cc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.CCCCCCCCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene?
The InChIKey is FQQVAHQISPRCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48.C40H48Si.C39H44.C38H42.C37H42/c1-7-9-10-11-12-15-28-41(35-25-23-34(24-26-35)40(4,5)6)38-17-14-13-16-36(38)37-27-22-33(29-39(37)41)32-20-18-31(19-21-32)30(3)8-2;1-7-9-10-11-12-15-28-40(34-23-25-35(26-24-34)41(4,5)6)38-17-14-13-16-36(38)37-27-22-33(29-39(37)40)32-20-18-31(19-21-32)30(3)8-2;1-6-8-9-10-11-14-25-39(37-26-28(3)17-18-30(37)5)36-16-13-12-15-34(36)35-24-23-33(27-38(35)39)32-21-19-31(20-22-32)29(4)7-2;1-5-7-8-9-10-13-26-38(33-23-16-28(3)17-24-33)36-15-12-11-14-34(36)35-25-22-32(27-37(35)38)31-20-18-30(19-21-31)29(4)6-2;1-4-6-7-8-9-15-26-37(32-16-11-10-12-17-32)35-19-14-13-18-33(35)34-25-24-31(27-36(34)37)30-22-20-29(21-23-30)28(3)5-2/h2*7,13-14,16-27,29-30H,1,8-12,15,28H2,2-6H3;6,12-13,15-24,26-27,29H,1,7-11,14,25H2,2-5H3;5,11-12,14-25,27,29H,1,6-10,13,26H2,2-4H3;10-14,16-25,27-28H,4-9,15,26H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene?
2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene has a molecular weight of 2596.02 g/mol, XLogP of 56.53, 56 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(2,5-dimethylphenyl)-9-oct-7-enylfluorene;2-(4-butan-2-ylphenyl)-9-(4-methylphenyl)-9-oct-7-enylfluorene;[4-[2-(4-butan-2-ylphenyl)-9-oct-7-enylfluoren-9-yl]phenyl]-trimethylsilane;2-(4-butan-2-ylphenyl)-9-octyl-9-phenylfluorene is sourced from PubChem (CID 158112944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).