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

C111H69F18NO — CID 59512966

IUPAC1-[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
SMILESCC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5cc(-c7cc(Oc8ccc(-c9nccc%10ccccc9%10)cc8)cc(-c8ccc9c(c8)C(C)(C(F)(F)F)c8cc(-c%10ccc%11c(c%10)C(C)(C(F)(F)F)c%10cc(-c%12ccc%13c(c%12)C(C)(C(F)(F)F)c%12ccccc%12-%13)ccc%10-%11)ccc8-9)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C111H69F18NO/c1-100(106(112,113)114)87-17-11-9-15-75(87)77-33-21-60(48-89(77)100)62-23-35-79-81-37-25-64(52-93(81)102(3,91(79)50-62)108(118,119)120)66-27-39-83-85-41-29-68(56-97(85)104(5,95(83)54-66)110(124,125)126)70-45-71(47-73(46-70)131-72-31-19-59(20-32-72)99-74-14-8-7-13-58(74)43-44-130-99)69-30-42-86-84-40-28-67(55-96(84)105(6,98(86)57-69)111(127,128)129)65-26-38-82-80-36-24-63(51-92(80)103(4,94(82)53-65)109(121,122)123)61-22-34-78-76-16-10-12-18-88(76)101(2,90(78)49-61)107(115,116)117/h7-57H,1-6H3
InChIKeyFHIKIVJCMUTOEQ-UHFFFAOYSA-N
MW1774.74 g/mol
LogP32.79
Rot. Bonds9

About 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

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 (PubChem CID 59512966) has the molecular formula C111H69F18NO and a molecular weight of 1774.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID59512966
Molecular FormulaC111H69F18NO
Molecular Weight1774.74 g/mol
Exact Mass1773.51
IUPAC Name1-[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
SMILESCC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5cc(-c7cc(Oc8ccc(-c9nccc%10ccccc9%10)cc8)cc(-c8ccc9c(c8)C(C)(C(F)(F)F)c8cc(-c%10ccc%11c(c%10)C(C)(C(F)(F)F)c%10cc(-c%12ccc%13c(c%12)C(C)(C(F)(F)F)c%12ccccc%12-%13)ccc%10-%11)ccc8-9)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C111H69F18NO/c1-100(106(112,113)114)87-17-11-9-15-75(87)77-33-21-60(48-89(77)100)62-23-35-79-81-37-25-64(52-93(81)102(3,91(79)50-62)108(118,119)120)66-27-39-83-85-41-29-68(56-97(85)104(5,95(83)54-66)110(124,125)126)70-45-71(47-73(46-70)131-72-31-19-59(20-32-72)99-74-14-8-7-13-58(74)43-44-130-99)69-30-42-86-84-40-28-67(55-96(84)105(6,98(86)57-69)111(127,128)129)65-26-38-82-80-36-24-63(51-92(80)103(4,94(82)53-65)109(121,122)123)61-22-34-78-76-16-10-12-18-88(76)101(2,90(78)49-61)107(115,116)117/h7-57H,1-6H3
InChIKeyFHIKIVJCMUTOEQ-UHFFFAOYSA-N
XLogP32.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001774.74
LogP ≤ 532.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
1-[3-[7-(3-isoquinolin-1-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
CID 58881218
1-[3-[4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline
CID 122427216
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-(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
1-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]isoquinoline
CID 59195043
2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512956
1-(10,10-dimethyl-9,9-dioctylphenanthren-2-yl)isoquinoline
CID 130399679
7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene
CID 59404128
1-[4-[2-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]isoquinoline
CID 167136111
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene
CID 59217059
2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 59245648

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C(F)(F)F)c5cc(-c7cc(Oc8ccc(-c9nccc%10ccccc9%10)cc8)cc(-c8ccc9c(c8)C(C)(C(F)(F)F)c8cc(-c%10ccc%11c(c%10)C(C)(C(F)(F)F)c%10cc(-c%12ccc%13c(c%12)C(C)(C(F)(F)F)c%12ccccc%12-%13)ccc%10-%11)ccc8-9)c7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is FHIKIVJCMUTOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H69F18NO/c1-100(106(112,113)114)87-17-11-9-15-75(87)77-33-21-60(48-89(77)100)62-23-35-79-81-37-25-64(52-93(81)102(3,91(79)50-62)108(118,119)120)66-27-39-83-85-41-29-68(56-97(85)104(5,95(83)54-66)110(124,125)126)70-45-71(47-73(46-70)131-72-31-19-59(20-32-72)99-74-14-8-7-13-58(74)43-44-130-99)69-30-42-86-84-40-28-67(55-96(84)105(6,98(86)57-69)111(127,128)129)65-26-38-82-80-36-24-63(51-92(80)103(4,94(82)53-65)109(121,122)123)61-22-34-78-76-16-10-12-18-88(76)101(2,90(78)49-61)107(115,116)117/h7-57H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1774.74 g/mol, XLogP of 32.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59512966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).