4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline

C26H17F6N — CID 59859389

IUPAC4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline
SMILESCc1c(-c2ccc3c(c2)C(C)(C(F)(F)F)c2cc(C(F)(F)F)ccc2-3)ncc2ccccc12
InChIInChI=1S/C26H17F6N/c1-14-18-6-4-3-5-16(18)13-33-23(14)15-7-9-19-20-10-8-17(25(27,28)29)12-22(20)24(2,21(19)11-15)26(30,31)32/h3-13H,1-2H3
InChIKeyWRWKFPUKEPWVJL-UHFFFAOYSA-N
MW457.42 g/mol
LogP8.08
Rot. Bonds1

About 4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline

4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline (PubChem CID 59859389) has the molecular formula C26H17F6N and a molecular weight of 457.42 g/mol. Its IUPAC name is 4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline.

Molecular Properties

Compound Name4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline
PubChem CID59859389
Molecular FormulaC26H17F6N
Molecular Weight457.42 g/mol
Exact Mass457.13
IUPAC Name4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline
SMILESCc1c(-c2ccc3c(c2)C(C)(C(F)(F)F)c2cc(C(F)(F)F)ccc2-3)ncc2ccccc12
InChIInChI=1S/C26H17F6N/c1-14-18-6-4-3-5-16(18)13-33-23(14)15-7-9-19-20-10-8-17(25(27,28)29)12-22(20)24(2,21(19)11-15)26(30,31)32/h3-13H,1-2H3
InChIKeyWRWKFPUKEPWVJL-UHFFFAOYSA-N
XLogP8.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.42
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene
CID 59404128
2,9-dimethyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512862
2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline
CID 59470271
3,12,12-trimethyl-21-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 58049992
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
2-[7,9,9-tris(trifluoromethyl)fluoren-2-yl]quinoline
CID 59859395
2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 59245648
3-(7-tert-butyl-9,9-dimethylfluoren-2-yl)isoquinoline
CID 59798576
1-[4-[3,5-bis[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]phenoxy]phenyl]isoquinoline
CID 59512966
2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512956
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
11,11-dimethyl-1-(3-methylphenyl)-9-(trifluoromethyl)fluoreno[2,1-f]isoquinoline
CID 171734659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline?
The IUPAC name of 4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline (CID 59859389) is 4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline.
What is the SMILES notation for 4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline?
The canonical SMILES for 4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline is Cc1c(-c2ccc3c(c2)C(C)(C(F)(F)F)c2cc(C(F)(F)F)ccc2-3)ncc2ccccc12.
What is the InChIKey of 4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline?
The InChIKey is WRWKFPUKEPWVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F6N/c1-14-18-6-4-3-5-16(18)13-33-23(14)15-7-9-19-20-10-8-17(25(27,28)29)12-22(20)24(2,21(19)11-15)26(30,31)32/h3-13H,1-2H3.
What are the key properties of 4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline?
4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline has a molecular weight of 457.42 g/mol, XLogP of 8.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[9-methyl-7,9-bis(trifluoromethyl)fluoren-2-yl]isoquinoline is sourced from PubChem (CID 59859389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).