2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile

C70H40N6O2 — CID 153432271

IUPAC2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C70H40N6O2/c71-41-46-21-7-8-22-47(46)44-31-33-48(61(40-44)76-57-28-14-10-26-54(57)65-60(76)38-35-52-50-24-12-16-30-63(50)78-67(52)65)55-39-45(70-73-68(42-17-3-1-4-18-42)72-69(74-70)43-19-5-2-6-20-43)32-36-58(55)75-56-27-13-9-25-53(56)64-59(75)37-34-51-49-23-11-15-29-62(49)77-66(51)64/h1-40H
InChIKeyIBTRKIRRBSAPRV-UHFFFAOYSA-N
MW997.13 g/mol
LogP18.07
Rot. Bonds7

About 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile

2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile (PubChem CID 153432271) has the molecular formula C70H40N6O2 and a molecular weight of 997.13 g/mol. Its IUPAC name is 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
PubChem CID153432271
Molecular FormulaC70H40N6O2
Molecular Weight997.13 g/mol
Exact Mass996.32
IUPAC Name2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C70H40N6O2/c71-41-46-21-7-8-22-47(46)44-31-33-48(61(40-44)76-57-28-14-10-26-54(57)65-60(76)38-35-52-50-24-12-16-30-63(50)78-67(52)65)55-39-45(70-73-68(42-17-3-1-4-18-42)72-69(74-70)43-19-5-2-6-20-43)32-36-58(55)75-56-27-13-9-25-53(56)64-59(75)37-34-51-49-23-11-15-29-62(49)77-66(51)64/h1-40H
InChIKeyIBTRKIRRBSAPRV-UHFFFAOYSA-N
XLogP18.07
TPSA98.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.13
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile with MolForge

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Related Compounds

2-[3-[4,6-bis[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134601
3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174169875
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003348
5-[2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 162500626
2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664673
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155463130
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole
CID 154603075
3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664946
3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664740
2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 153432313
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-nitrophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 170267879
2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232743

Frequently Asked Questions

What is the IUPAC name of 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile (CID 153432271) is 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.
What is the InChIKey of 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
The InChIKey is IBTRKIRRBSAPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H40N6O2/c71-41-46-21-7-8-22-47(46)44-31-33-48(61(40-44)76-57-28-14-10-26-54(57)65-60(76)38-35-52-50-24-12-16-30-63(50)78-67(52)65)55-39-45(70-73-68(42-17-3-1-4-18-42)72-69(74-70)43-19-5-2-6-20-43)32-36-58(55)75-56-27-13-9-25-53(56)64-59(75)37-34-51-49-23-11-15-29-62(49)77-66(51)64/h1-40H.
What are the key properties of 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile has a molecular weight of 997.13 g/mol, XLogP of 18.07, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 153432271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).