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

C55H31N3O2 — CID 139339960

IUPAC2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C55H31N3O2/c56-32-35-11-1-2-12-39(35)34-23-21-33(22-24-34)36-29-37(57-46-17-7-3-15-44(46)52-48(57)27-25-42-40-13-5-9-19-50(40)59-54(42)52)31-38(30-36)58-47-18-8-4-16-45(47)53-49(58)28-26-43-41-14-6-10-20-51(41)60-55(43)53/h1-31H
InChIKeyNRKJZONRKLYQOM-UHFFFAOYSA-N
MW765.87 g/mol
LogP14.89
Rot. Bonds4

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

2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile (PubChem CID 139339960) has the molecular formula C55H31N3O2 and a molecular weight of 765.87 g/mol. Its IUPAC name is 2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
PubChem CID139339960
Molecular FormulaC55H31N3O2
Molecular Weight765.87 g/mol
Exact Mass765.24
IUPAC Name2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C55H31N3O2/c56-32-35-11-1-2-12-39(35)34-23-21-33(22-24-34)36-29-37(57-46-17-7-3-15-44(46)52-48(57)27-25-42-40-13-5-9-19-50(40)59-54(42)52)31-38(30-36)58-47-18-8-4-16-45(47)53-49(58)28-26-43-41-14-6-10-20-51(41)60-55(43)53/h1-31H
InChIKeyNRKJZONRKLYQOM-UHFFFAOYSA-N
XLogP14.89
TPSA59.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.87
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile
CID 153411277
3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291151
3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
CID 139340065
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
2-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]phenyl]benzonitrile;3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
CID 159371749
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile
CID 129291110
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(4-phenylcarbazol-9-yl)benzonitrile
CID 129291106
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(4-cyanophenyl)benzonitrile
CID 139339613
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 166987592
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile (CID 139339960) is 2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1.
What is the InChIKey of 2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile?
The InChIKey is NRKJZONRKLYQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N3O2/c56-32-35-11-1-2-12-39(35)34-23-21-33(22-24-34)36-29-37(57-46-17-7-3-15-44(46)52-48(57)27-25-42-40-13-5-9-19-50(40)59-54(42)52)31-38(30-36)58-47-18-8-4-16-45(47)53-49(58)28-26-43-41-14-6-10-20-51(41)60-55(43)53/h1-31H.
What are the key properties of 2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile?
2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile has a molecular weight of 765.87 g/mol, XLogP of 14.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 139339960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).