9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene

C37H42 — CID 157347583

IUPAC9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene
SMILESCCCCc1c(C)cccc1C1(c2cccc(C)c2CCCC)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C37H42/c1-7-9-15-29-27(5)13-11-17-33(29)37(34-18-12-14-28(6)30(34)16-10-8-2)35-23-25(3)19-21-31(35)32-22-20-26(4)24-36(32)37/h11-14,17-24H,7-10,15-16H2,1-6H3
InChIKeyRQPGCEMNFQFNEA-UHFFFAOYSA-N
MW486.74 g/mol
LogP9.97
Rot. Bonds8

About 9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene

9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene (PubChem CID 157347583) has the molecular formula C37H42 and a molecular weight of 486.74 g/mol. Its IUPAC name is 9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene
PubChem CID157347583
Molecular FormulaC37H42
Molecular Weight486.74 g/mol
Exact Mass486.33
IUPAC Name9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene
SMILESCCCCc1c(C)cccc1C1(c2cccc(C)c2CCCC)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C37H42/c1-7-9-15-29-27(5)13-11-17-33(29)37(34-18-12-14-28(6)30(34)16-10-8-2)35-23-25(3)19-21-31(35)32-22-20-26(4)24-36(32)37/h11-14,17-24H,7-10,15-16H2,1-6H3
InChIKeyRQPGCEMNFQFNEA-UHFFFAOYSA-N
XLogP9.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene
CID 140603360
9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
CID 123676884
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene
CID 71142885
2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
CID 123298937
CID 58607554
CID 58607554
2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane
CID 158619451
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene
CID 158300684

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene (CID 157347583) is 9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene is CCCCc1c(C)cccc1C1(c2cccc(C)c2CCCC)c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene?
The InChIKey is RQPGCEMNFQFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42/c1-7-9-15-29-27(5)13-11-17-33(29)37(34-18-12-14-28(6)30(34)16-10-8-2)35-23-25(3)19-21-31(35)32-22-20-26(4)24-36(32)37/h11-14,17-24H,7-10,15-16H2,1-6H3.
What are the key properties of 9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene?
9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene has a molecular weight of 486.74 g/mol, XLogP of 9.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene is sourced from PubChem (CID 157347583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).