4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene

C35H38 — CID 158300684

IUPAC4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene
SMILESCCCCc1cc(C)cc2c1-c1ccc(C)cc1C2(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C35H38/c1-8-9-10-28-17-23(3)19-33-34(28)31-16-11-22(2)18-32(31)35(33,29-14-12-24(4)26(6)20-29)30-15-13-25(5)27(7)21-30/h11-21H,8-10H2,1-7H3
InChIKeyVUQKULGKRBCODQ-UHFFFAOYSA-N
MW458.69 g/mol
LogP9.24
Rot. Bonds5

About 4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene

4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene (PubChem CID 158300684) has the molecular formula C35H38 and a molecular weight of 458.69 g/mol. Its IUPAC name is 4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene
PubChem CID158300684
Molecular FormulaC35H38
Molecular Weight458.69 g/mol
Exact Mass458.30
IUPAC Name4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene
SMILESCCCCc1cc(C)cc2c1-c1ccc(C)cc1C2(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C35H38/c1-8-9-10-28-17-23(3)19-33-34(28)31-16-11-22(2)18-32(31)35(33,29-14-12-24(4)26(6)20-29)30-15-13-25(5)27(7)21-30/h11-21H,8-10H2,1-7H3
InChIKeyVUQKULGKRBCODQ-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis(3-butyl-4-methylphenyl)-2,7-dimethylfluorene
CID 123676884
9,9-bis(3,5-dibutyl-4-fluorophenyl)-2,7-dimethylfluorene
CID 71142885
1,4-dihexyl-2,5-dimethylbenzene;2,7-dimethyl-9,9-bis(4-octylphenyl)fluorene
CID 159632047
3,6-dibutyl-9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene
CID 159200937
9,9-bis(4-butyl-2,3-dimethylphenyl)-2,7-dimethylfluorene
CID 140603360
7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
CID 140661825
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
9,9-bis(2-butyl-3-methylphenyl)-2,7-dimethylfluorene
CID 157347583
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
CID 123298937
9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene
CID 123568014
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 158311989

Frequently Asked Questions

What is the IUPAC name of 4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene?
The IUPAC name of 4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene (CID 158300684) is 4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene.
What is the SMILES notation for 4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene?
The canonical SMILES for 4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene is CCCCc1cc(C)cc2c1-c1ccc(C)cc1C2(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene?
The InChIKey is VUQKULGKRBCODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38/c1-8-9-10-28-17-23(3)19-33-34(28)31-16-11-22(2)18-32(31)35(33,29-14-12-24(4)26(6)20-29)30-15-13-25(5)27(7)21-30/h11-21H,8-10H2,1-7H3.
What are the key properties of 4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene?
4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene has a molecular weight of 458.69 g/mol, XLogP of 9.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-9,9-bis(3,4-dimethylphenyl)-2,7-dimethylfluorene is sourced from PubChem (CID 158300684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).