2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene

C51H37F3 — CID 59196207

IUPAC2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21
InChIInChI=1S/C51H37F3/c1-49(2)43-15-9-7-11-35(43)37-24-19-32(28-45(37)49)31-20-26-41-42(27-31)48(33-21-25-38-36-12-8-10-16-44(36)50(3,4)46(38)29-33)40-14-6-5-13-39(40)47(41)30-17-22-34(23-18-30)51(52,53)54/h5-29H,1-4H3
InChIKeyXLOQLOVXWRJQNU-UHFFFAOYSA-N
MW706.85 g/mol
LogP14.63
Rot. Bonds3

About 2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene

2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene (PubChem CID 59196207) has the molecular formula C51H37F3 and a molecular weight of 706.85 g/mol. Its IUPAC name is 2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
PubChem CID59196207
Molecular FormulaC51H37F3
Molecular Weight706.85 g/mol
Exact Mass706.28
IUPAC Name2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21
InChIInChI=1S/C51H37F3/c1-49(2)43-15-9-7-11-35(43)37-24-19-32(28-45(37)49)31-20-26-41-42(27-31)48(33-21-25-38-36-12-8-10-16-44(36)50(3,4)46(38)29-33)40-14-6-5-13-39(40)47(41)30-17-22-34(23-18-30)51(52,53)54/h5-29H,1-4H3
InChIKeyXLOQLOVXWRJQNU-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196069
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene
CID 156682573
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
CID 140863269
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
CID 159087841

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene (CID 59196207) is 2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc(C(F)(F)F)cc5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21.
What is the InChIKey of 2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
The InChIKey is XLOQLOVXWRJQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37F3/c1-49(2)43-15-9-7-11-35(43)37-24-19-32(28-45(37)49)31-20-26-41-42(27-31)48(33-21-25-38-36-12-8-10-16-44(36)50(3,4)46(38)29-33)40-14-6-5-13-39(40)47(41)30-17-22-34(23-18-30)51(52,53)54/h5-29H,1-4H3.
What are the key properties of 2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene?
2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 706.85 g/mol, XLogP of 14.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 59196207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).