2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene

C63H73Br — CID 59801302

IUPAC2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)C(CCC(C)C)(CCC(C)C)c3ccccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCC(C)C)(CCC(C)C)c3cc(Br)ccc3-4)cc21
InChIInChI=1S/C63H73Br/c1-11-61(12-2)56-35-44(46-17-22-50-49-15-13-14-16-55(49)62(58(50)37-46,31-27-40(3)4)32-28-41(5)6)18-23-51(56)52-24-19-45(36-57(52)61)47-20-25-53-54-26-21-48(64)39-60(54)63(59(53)38-47,33-29-42(7)8)34-30-43(9)10/h13-26,35-43H,11-12,27-34H2,1-10H3
InChIKeyANSPOMXRWZAIPS-UHFFFAOYSA-N
MW910.18 g/mol
LogP19.15
Rot. Bonds16

About 2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene

2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene (PubChem CID 59801302) has the molecular formula C63H73Br and a molecular weight of 910.18 g/mol. Its IUPAC name is 2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene.

Molecular Properties

Compound Name2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene
PubChem CID59801302
Molecular FormulaC63H73Br
Molecular Weight910.18 g/mol
Exact Mass908.49
IUPAC Name2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)C(CCC(C)C)(CCC(C)C)c3ccccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCC(C)C)(CCC(C)C)c3cc(Br)ccc3-4)cc21
InChIInChI=1S/C63H73Br/c1-11-61(12-2)56-35-44(46-17-22-50-49-15-13-14-16-55(49)62(58(50)37-46,31-27-40(3)4)32-28-41(5)6)18-23-51(56)52-24-19-45(36-57(52)61)47-20-25-53-54-26-21-48(64)39-60(54)63(59(53)38-47,33-29-42(7)8)34-30-43(9)10/h13-26,35-43H,11-12,27-34H2,1-10H3
InChIKeyANSPOMXRWZAIPS-UHFFFAOYSA-N
XLogP19.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.18
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene?
The IUPAC name of 2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene (CID 59801302) is 2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene.
What is the SMILES notation for 2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene?
The canonical SMILES for 2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene is CCC1(CC)c2cc(-c3ccc4c(c3)C(CCC(C)C)(CCC(C)C)c3ccccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CCC(C)C)(CCC(C)C)c3cc(Br)ccc3-4)cc21.
What is the InChIKey of 2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene?
The InChIKey is ANSPOMXRWZAIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H73Br/c1-11-61(12-2)56-35-44(46-17-22-50-49-15-13-14-16-55(49)62(58(50)37-46,31-27-40(3)4)32-28-41(5)6)18-23-51(56)52-24-19-45(36-57(52)61)47-20-25-53-54-26-21-48(64)39-60(54)63(59(53)38-47,33-29-42(7)8)34-30-43(9)10/h13-26,35-43H,11-12,27-34H2,1-10H3.
What are the key properties of 2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene?
2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene has a molecular weight of 910.18 g/mol, XLogP of 19.15, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene is sourced from PubChem (CID 59801302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).