1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene

C28H14F8O2 — CID 102414090

IUPAC1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2c3c(F)c(F)c(F)c(F)c3c(-c3ccc(OC)cc3)c3c(F)c(F)c(F)c(F)c23)cc1
InChIInChI=1S/C28H14F8O2/c1-37-13-7-3-11(4-8-13)15-17-19(23(31)27(35)25(33)21(17)29)16(12-5-9-14(38-2)10-6-12)20-18(15)22(30)26(34)28(36)24(20)32/h3-10H,1-2H3
InChIKeyJWHICOULGZDHDY-UHFFFAOYSA-N
MW534.40 g/mol
LogP8.46
Rot. Bonds4

About 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene

1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene (PubChem CID 102414090) has the molecular formula C28H14F8O2 and a molecular weight of 534.40 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene
PubChem CID102414090
Molecular FormulaC28H14F8O2
Molecular Weight534.40 g/mol
Exact Mass534.09
IUPAC Name1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2c3c(F)c(F)c(F)c(F)c3c(-c3ccc(OC)cc3)c3c(F)c(F)c(F)c(F)c23)cc1
InChIInChI=1S/C28H14F8O2/c1-37-13-7-3-11(4-8-13)15-17-19(23(31)27(35)25(33)21(17)29)16(12-5-9-14(38-2)10-6-12)20-18(15)22(30)26(34)28(36)24(20)32/h3-10H,1-2H3
InChIKeyJWHICOULGZDHDY-UHFFFAOYSA-N
XLogP8.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.40
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,4-Dimethoxyanthracene
CID 83107
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
1-Methoxyphenanthrene
CID 43547
Multicaulin
CID 467782
Cpgu 3OT
CID 20736014
4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-2',3,5-trifluoro-4''-propyl-1,1':4',1''-terphenyl
CID 59856380
2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
AR-D38 2,7-Dimethoxyphenanthrene
CID 299494
2,8-Dimethylnaphtho[3,2,1-kl]xanthene
CID 5052385
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-((2-methylnaphthalen-1-yl)methyl)pentan-2-ol
CID 10127269
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol
CID 10194607
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-((4-methylnaphthalen-1-yl)methyl)pentan-2-ol
CID 10216697

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene?
The IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene (CID 102414090) is 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene is COc1ccc(-c2c3c(F)c(F)c(F)c(F)c3c(-c3ccc(OC)cc3)c3c(F)c(F)c(F)c(F)c23)cc1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene?
The InChIKey is JWHICOULGZDHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14F8O2/c1-37-13-7-3-11(4-8-13)15-17-19(23(31)27(35)25(33)21(17)29)16(12-5-9-14(38-2)10-6-12)20-18(15)22(30)26(34)28(36)24(20)32/h3-10H,1-2H3.
What are the key properties of 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene?
1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene has a molecular weight of 534.40 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octafluoro-9,10-bis(4-methoxyphenyl)anthracene is sourced from PubChem (CID 102414090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).