2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]

C69H56 — CID 157309373

IUPAC2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2
InChIInChI=1S/C27H20.C27H22.C15H14/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10/h3-16H,1-2H3;3-18H,1-2H3;3-8H,9H2,1-2H3
InChIKeyBCVYAHQKZDGTPZ-UHFFFAOYSA-N
MW885.21 g/mol
LogP17.19
Rot. Bonds2

About 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]

2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene] (PubChem CID 157309373) has the molecular formula C69H56 and a molecular weight of 885.21 g/mol. Its IUPAC name is 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
PubChem CID157309373
Molecular FormulaC69H56
Molecular Weight885.21 g/mol
Exact Mass884.44
IUPAC Name2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2
InChIInChI=1S/C27H20.C27H22.C15H14/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10/h3-16H,1-2H3;3-18H,1-2H3;3-8H,9H2,1-2H3
InChIKeyBCVYAHQKZDGTPZ-UHFFFAOYSA-N
XLogP17.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.21
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
CID 161481336
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
CID 58607554
CID 58607554
2-deuterio-7-methyl-9,9-diphenylfluorene
CID 59886082
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
9-(9,9-diphenylfluoren-2-yl)-3-methylcarbazole;9-(9H-fluoren-2-yl)-3-methylcarbazole;3-methyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;3-methyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 160834176
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]?
The IUPAC name of 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene] (CID 157309373) is 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene] is Cc1ccc2c(c1)-c1cc(C)ccc1C2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.
What is the InChIKey of 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]?
The InChIKey is BCVYAHQKZDGTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20.C27H22.C15H14/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10/h3-16H,1-2H3;3-18H,1-2H3;3-8H,9H2,1-2H3.
What are the key properties of 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]?
2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene] has a molecular weight of 885.21 g/mol, XLogP of 17.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 157309373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).