[4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone

C54H24F18N4O — CID 142301703

IUPAC[4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(-n2c3cc(C(F)(F)F)c(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)cc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)c(C(F)(F)F)cc32)cc1
InChIInChI=1S/C54H24F18N4O/c55-49(56,57)27-3-9-32-33-10-4-28(50(58,59)60)18-41(33)75(40(32)17-27)46-21-36-37-22-47(76-42-19-29(51(61,62)63)5-11-34(42)35-12-6-30(20-43(35)76)52(64,65)66)39(54(70,71)72)24-45(37)74(44(36)23-38(46)53(67,68)69)31-7-1-25(2-8-31)48(77)26-13-15-73-16-14-26/h1-24H
InChIKeyNKMSUFKQPHZFHH-UHFFFAOYSA-N
MW1086.78 g/mol
LogP17.72
Rot. Bonds5

About [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone

[4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone (PubChem CID 142301703) has the molecular formula C54H24F18N4O and a molecular weight of 1086.78 g/mol. Its IUPAC name is [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone
PubChem CID142301703
Molecular FormulaC54H24F18N4O
Molecular Weight1086.78 g/mol
Exact Mass1086.17
IUPAC Name[4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(-n2c3cc(C(F)(F)F)c(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)cc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)c(C(F)(F)F)cc32)cc1
InChIInChI=1S/C54H24F18N4O/c55-49(56,57)27-3-9-32-33-10-4-28(50(58,59)60)18-41(33)75(40(32)17-27)46-21-36-37-22-47(76-42-19-29(51(61,62)63)5-11-34(42)35-12-6-30(20-43(35)76)52(64,65)66)39(54(70,71)72)24-45(37)74(44(36)23-38(46)53(67,68)69)31-7-1-25(2-8-31)48(77)26-13-15-73-16-14-26/h1-24H
InChIKeyNKMSUFKQPHZFHH-UHFFFAOYSA-N
XLogP17.72
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.78
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

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CID 73352215
europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)
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EIFD dy TPPO
CID 168338902
13,14-Di(carbazol-9-yl)-2,2-difluoro-17-oxo-1-aza-3-azonia-2-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaene-9-carbonitrile
CID 168353729
Bis(1-benzyl-1h-indol-3-yl)methanone
CID 22019292
Bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]methanone
CID 102197207
1,1'-[1,4-butanediylbis(1H-indole-1,3-diyl)]bis(trifluoroethanone)
CID 2194300
[6-(1-Benzylindol-6-yl)indol-1-yl]-(4-fluorophenyl)methanone
CID 56851774
[6-(1-Benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone
CID 56851778
1-[5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone
CID 58456857
N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone (CID 142301703) is [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone is O=C(c1ccncc1)c1ccc(-n2c3cc(C(F)(F)F)c(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)cc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)c(C(F)(F)F)cc32)cc1.
What is the InChIKey of [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone?
The InChIKey is NKMSUFKQPHZFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H24F18N4O/c55-49(56,57)27-3-9-32-33-10-4-28(50(58,59)60)18-41(33)75(40(32)17-27)46-21-36-37-22-47(76-42-19-29(51(61,62)63)5-11-34(42)35-12-6-30(20-43(35)76)52(64,65)66)39(54(70,71)72)24-45(37)74(44(36)23-38(46)53(67,68)69)31-7-1-25(2-8-31)48(77)26-13-15-73-16-14-26/h1-24H.
What are the key properties of [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone?
[4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone has a molecular weight of 1086.78 g/mol, XLogP of 17.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 142301703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).