2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile

C51H25F3N4O2 — CID 153303224

IUPAC2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c(C#N)c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c(C(F)(F)F)c1
InChIInChI=1S/C51H25F3N4O2/c52-51(53,54)38-23-28(26-55)17-18-30(38)29-24-43(57-39-13-5-1-11-35(39)47-41(57)21-19-33-31-9-3-7-15-45(31)59-49(33)47)37(27-56)44(25-29)58-40-14-6-2-12-36(40)48-42(58)22-20-34-32-10-4-8-16-46(32)60-50(34)48/h1-25H
InChIKeyUSJUTJJSLLCRCV-UHFFFAOYSA-N
MW782.78 g/mol
LogP14.11
Rot. Bonds3

About 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile

2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 153303224) has the molecular formula C51H25F3N4O2 and a molecular weight of 782.78 g/mol. Its IUPAC name is 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID153303224
Molecular FormulaC51H25F3N4O2
Molecular Weight782.78 g/mol
Exact Mass782.19
IUPAC Name2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c(C#N)c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c(C(F)(F)F)c1
InChIInChI=1S/C51H25F3N4O2/c52-51(53,54)38-23-28(26-55)17-18-30(38)29-24-43(57-39-13-5-1-11-35(39)47-41(57)21-19-33-31-9-3-7-15-45(31)59-49(33)47)37(27-56)44(25-29)58-40-14-6-2-12-36(40)48-42(58)22-20-34-32-10-4-8-16-46(32)60-50(34)48/h1-25H
InChIKeyUSJUTJJSLLCRCV-UHFFFAOYSA-N
XLogP14.11
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.78
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

15-(5,9-Dioxa-13b-boranaphtho[3,2,1-de]anthracen-7-yl)-10-phenyl-10,15-dihydrobenzofuro[3,2-a]indolo[3,2-c]carbazole
CID 170532748
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenylcarbazole-2,7-diamine
CID 23593191
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593276
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
CID 66585175
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-carbazol-9-yl-N-(4-fluorophenyl)aniline
CID 66585365
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 68230409
9-[3-[9-[7-(Trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile
CID 71278345
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
CID 89965883
N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine
CID 90129117
N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 90194011

Frequently Asked Questions

What is the IUPAC name of 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile (CID 153303224) is 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c(C#N)c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c(C(F)(F)F)c1.
What is the InChIKey of 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is USJUTJJSLLCRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H25F3N4O2/c52-51(53,54)38-23-28(26-55)17-18-30(38)29-24-43(57-39-13-5-1-11-35(39)47-41(57)21-19-33-31-9-3-7-15-45(31)59-49(33)47)37(27-56)44(25-29)58-40-14-6-2-12-36(40)48-42(58)22-20-34-32-10-4-8-16-46(32)60-50(34)48/h1-25H.
What are the key properties of 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 782.78 g/mol, XLogP of 14.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 153303224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).