2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene

C66H48F2 — CID 146644661

IUPAC2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(Cc3ccc4c(c3)C(c3cccc(F)c3)(c3cccc(F)c3)c3ccc(-c5ccc(-c6ccccc6)cc5)cc3-4)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C66H48F2/c1-65(2)61-22-10-9-21-56(61)57-35-32-51(40-63(57)65)59(49-30-28-47(29-31-49)45-15-7-4-8-16-45)37-43-23-34-58-60-39-50(48-26-24-46(25-27-48)44-13-5-3-6-14-44)33-36-62(60)66(64(58)38-43,52-17-11-19-54(67)41-52)53-18-12-20-55(68)42-53/h3-36,38-42,59H,37H2,1-2H3
InChIKeyLDRLIYFCZIXHTA-UHFFFAOYSA-N
MW879.11 g/mol
LogP17.01
Rot. Bonds9

About 2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene

2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene (PubChem CID 146644661) has the molecular formula C66H48F2 and a molecular weight of 879.11 g/mol. Its IUPAC name is 2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene.

Molecular Properties

Compound Name2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene
PubChem CID146644661
Molecular FormulaC66H48F2
Molecular Weight879.11 g/mol
Exact Mass878.37
IUPAC Name2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(Cc3ccc4c(c3)C(c3cccc(F)c3)(c3cccc(F)c3)c3ccc(-c5ccc(-c6ccccc6)cc5)cc3-4)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C66H48F2/c1-65(2)61-22-10-9-21-56(61)57-35-32-51(40-63(57)65)59(49-30-28-47(29-31-49)45-15-7-4-8-16-45)37-43-23-34-58-60-39-50(48-26-24-46(25-27-48)44-13-5-3-6-14-44)33-36-62(60)66(64(58)38-43,52-17-11-19-54(67)41-52)53-18-12-20-55(68)42-53/h3-36,38-42,59H,37H2,1-2H3
InChIKeyLDRLIYFCZIXHTA-UHFFFAOYSA-N
XLogP17.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.11
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene
CID 144990236
2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene
CID 165030326
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 156726305
8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene
CID 138455800
4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene
CID 171742930
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
2-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174008153
4-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
CID 145291766
15-[2-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-1-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 146439468
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene?
The IUPAC name of 2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene (CID 146644661) is 2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene.
What is the SMILES notation for 2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene?
The canonical SMILES for 2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene is CC1(C)c2ccccc2-c2ccc(C(Cc3ccc4c(c3)C(c3cccc(F)c3)(c3cccc(F)c3)c3ccc(-c5ccc(-c6ccccc6)cc5)cc3-4)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene?
The InChIKey is LDRLIYFCZIXHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48F2/c1-65(2)61-22-10-9-21-56(61)57-35-32-51(40-63(57)65)59(49-30-28-47(29-31-49)45-15-7-4-8-16-45)37-43-23-34-58-60-39-50(48-26-24-46(25-27-48)44-13-5-3-6-14-44)33-36-62(60)66(64(58)38-43,52-17-11-19-54(67)41-52)53-18-12-20-55(68)42-53/h3-36,38-42,59H,37H2,1-2H3.
What are the key properties of 2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene?
2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene has a molecular weight of 879.11 g/mol, XLogP of 17.01, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene is sourced from PubChem (CID 146644661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).