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

C50H26N4O2 — CID 166987592

IUPAC2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)ccc1-c1cccc(C#N)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C50H26N4O2/c51-27-29-10-9-15-35(48(29)54-41-17-6-2-14-39(41)47-43(54)25-23-37-34-12-4-8-19-45(34)56-50(37)47)32-21-20-31(26-30(32)28-52)53-40-16-5-1-13-38(40)46-42(53)24-22-36-33-11-3-7-18-44(33)55-49(36)46/h1-26H
InChIKeyLLTCCAILDIGRSY-UHFFFAOYSA-N
MW714.78 g/mol
LogP13.09
Rot. Bonds3

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

2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile (PubChem CID 166987592) has the molecular formula C50H26N4O2 and a molecular weight of 714.78 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
PubChem CID166987592
Molecular FormulaC50H26N4O2
Molecular Weight714.78 g/mol
Exact Mass714.21
IUPAC Name2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)ccc1-c1cccc(C#N)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C50H26N4O2/c51-27-29-10-9-15-35(48(29)54-41-17-6-2-14-39(41)47-43(54)25-23-37-34-12-4-8-19-45(34)56-50(37)47)32-21-20-31(26-30(32)28-52)53-40-16-5-1-13-38(40)46-42(53)24-22-36-33-11-3-7-18-44(33)55-49(36)46/h1-26H
InChIKeyLLTCCAILDIGRSY-UHFFFAOYSA-N
XLogP13.09
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.78
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339954
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile
CID 129291110
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]benzonitrile
CID 140794058
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile
CID 155449823
2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile
CID 139340001
2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
CID 139339960
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaen-24-yl)benzonitrile
CID 140957430
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
CID 153461916
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)-3-isocyanobenzonitrile
CID 153462582
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329198
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-bromophenyl]benzonitrile
CID 153411277

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile?
The IUPAC name of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile (CID 166987592) is 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile.
What is the SMILES notation for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile?
The canonical SMILES for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)ccc1-c1cccc(C#N)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile?
The InChIKey is LLTCCAILDIGRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26N4O2/c51-27-29-10-9-15-35(48(29)54-41-17-6-2-14-39(41)47-43(54)25-23-37-34-12-4-8-19-45(34)56-50(37)47)32-21-20-31(26-30(32)28-52)53-40-16-5-1-13-38(40)46-42(53)24-22-36-33-11-3-7-18-44(33)55-49(36)46/h1-26H.
What are the key properties of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile?
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile has a molecular weight of 714.78 g/mol, XLogP of 13.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile is sourced from PubChem (CID 166987592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).