9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene

C41H26F4O2 — CID 177082650

IUPAC9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene
SMILESCOc1ccc2cc(C3(c4ccc5cc(Oc6c(F)c(F)c(C)c(F)c6F)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C41H26F4O2/c1-23-36(42)38(44)40(39(45)37(23)43)47-31-18-14-25-20-29(16-12-27(25)22-31)41(28-15-11-26-21-30(46-2)17-13-24(26)19-28)34-9-5-3-7-32(34)33-8-4-6-10-35(33)41/h3-22H,1-2H3
InChIKeyCTMSQSZCXYDZFN-UHFFFAOYSA-N
MW626.65 g/mol
LogP11.02
Rot. Bonds5

About 9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene

9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene (PubChem CID 177082650) has the molecular formula C41H26F4O2 and a molecular weight of 626.65 g/mol. Its IUPAC name is 9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene.

Molecular Properties

Compound Name9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene
PubChem CID177082650
Molecular FormulaC41H26F4O2
Molecular Weight626.65 g/mol
Exact Mass626.19
IUPAC Name9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene
SMILESCOc1ccc2cc(C3(c4ccc5cc(Oc6c(F)c(F)c(C)c(F)c6F)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C41H26F4O2/c1-23-36(42)38(44)40(39(45)37(23)43)47-31-18-14-25-20-29(16-12-27(25)22-31)41(28-15-11-26-21-30(46-2)17-13-24(26)19-28)34-9-5-3-7-32(34)33-8-4-6-10-35(33)41/h3-22H,1-2H3
InChIKeyCTMSQSZCXYDZFN-UHFFFAOYSA-N
XLogP11.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.65
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]
CID 158360359
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395
1-[6-[9-[6-(2-hydroxybutoxy)naphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxybutan-2-ol
CID 146486948
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline
CID 132569394
methanol;1-(4-methoxyphenyl)-1-[4-[6-[11-(6-methylnaphthalen-2-yl)benzo[b]fluoren-11-yl]naphthalen-2-yl]oxyphenyl]ethanol;1-(4-methoxyphenyl)-1-[4-[6-[7-(6-methylnaphthalen-2-yl)benzo[c]fluoren-7-yl]naphthalen-2-yl]oxyphenyl]ethanol;1-(4-methoxyphenyl)-1-[4-[6-[9-(6-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]ethanol;1-(4-methoxyphenyl)-1-[4-[6-[12-(6-methylnaphthalen-2-yl)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxyphenyl]ethanol;1-(4-methoxyphenyl)-1-[4-[6-[12-(6-methylnaphthalen-2-yl)-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxyphenyl]ethanol
CID 158262446
4-[4-[9-[4-(4-aminophenoxy)-3,5-dimethoxyphenyl]fluoren-9-yl]-2,6-dimethoxyphenoxy]aniline
CID 167440366
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol
CID 160805609

Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene?
The IUPAC name of 9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene (CID 177082650) is 9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene.
What is the SMILES notation for 9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene?
The canonical SMILES for 9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene is COc1ccc2cc(C3(c4ccc5cc(Oc6c(F)c(F)c(C)c(F)c6F)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of 9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene?
The InChIKey is CTMSQSZCXYDZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26F4O2/c1-23-36(42)38(44)40(39(45)37(23)43)47-31-18-14-25-20-29(16-12-27(25)22-31)41(28-15-11-26-21-30(46-2)17-13-24(26)19-28)34-9-5-3-7-32(34)33-8-4-6-10-35(33)41/h3-22H,1-2H3.
What are the key properties of 9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene?
9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene has a molecular weight of 626.65 g/mol, XLogP of 11.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene is sourced from PubChem (CID 177082650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).