2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene

C53H54 — CID 59782418

IUPAC2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3cc4c(cc3C)-c3cc(C)c(-c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)cc3C4(CC)CC)cc21
InChIInChI=1S/C53H54/c1-9-51(10-2)45-21-17-15-19-37(45)39-25-23-35(29-47(39)51)41-31-49-43(27-33(41)7)44-28-34(8)42(32-50(44)53(49,13-5)14-6)36-24-26-40-38-20-16-18-22-46(38)52(11-3,12-4)48(40)30-36/h15-32H,9-14H2,1-8H3
InChIKeyMTPBBZJAKXAHLL-UHFFFAOYSA-N
MW691.02 g/mol
LogP14.90
Rot. Bonds8

About 2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene

2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene (PubChem CID 59782418) has the molecular formula C53H54 and a molecular weight of 691.02 g/mol. Its IUPAC name is 2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene.

Molecular Properties

Compound Name2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
PubChem CID59782418
Molecular FormulaC53H54
Molecular Weight691.02 g/mol
Exact Mass690.42
IUPAC Name2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3cc4c(cc3C)-c3cc(C)c(-c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)cc3C4(CC)CC)cc21
InChIInChI=1S/C53H54/c1-9-51(10-2)45-21-17-15-19-37(45)39-25-23-35(29-47(39)51)41-31-49-43(27-33(41)7)44-28-34(8)42(32-50(44)53(49,13-5)14-6)36-24-26-40-38-20-16-18-22-46(38)52(11-3,12-4)48(40)30-36/h15-32H,9-14H2,1-8H3
InChIKeyMTPBBZJAKXAHLL-UHFFFAOYSA-N
XLogP14.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.02
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene
CID 59782352
2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene
CID 59245644
6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 102150204
2-(9,9-diethylfluoren-2-yl)-4,6-diphenylpyridine
CID 102582737
9,9-diethyl-2,7-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-3,6-diphenylfluorene
CID 59245613
8-[4-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-2,5-dimethylphenyl]-30-[2,5-dimethyl-4-(6,6,12,12-tetraoctylindeno[1,2-b]fluoren-2-yl)phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 168838146
9,9-diethylfluoren-2-ol
CID 163996675
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
CID 173482166
CID 173482166

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene?
The IUPAC name of 2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene (CID 59782418) is 2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene.
What is the SMILES notation for 2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene?
The canonical SMILES for 2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene is CCC1(CC)c2ccccc2-c2ccc(-c3cc4c(cc3C)-c3cc(C)c(-c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)cc3C4(CC)CC)cc21.
What is the InChIKey of 2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene?
The InChIKey is MTPBBZJAKXAHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H54/c1-9-51(10-2)45-21-17-15-19-37(45)39-25-23-35(29-47(39)51)41-31-49-43(27-33(41)7)44-28-34(8)42(32-50(44)53(49,13-5)14-6)36-24-26-40-38-20-16-18-22-46(38)52(11-3,12-4)48(40)30-36/h15-32H,9-14H2,1-8H3.
What are the key properties of 2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene?
2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene has a molecular weight of 691.02 g/mol, XLogP of 14.90, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene is sourced from PubChem (CID 59782418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).