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

C50H26N4O2 — CID 139339954

IUPAC2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C50H26N4O2/c51-27-29-10-9-11-30(28-52)46(29)38-21-20-31(53-39-16-5-1-14-36(39)47-41(53)24-22-34-32-12-3-7-18-44(32)55-49(34)47)26-43(38)54-40-17-6-2-15-37(40)48-42(54)25-23-35-33-13-4-8-19-45(33)56-50(35)48/h1-26H
InChIKeyHMFIMWVFUDLXKF-UHFFFAOYSA-N
MW714.78 g/mol
LogP13.09
Rot. Bonds3

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

2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 139339954) has the molecular formula C50H26N4O2 and a molecular weight of 714.78 g/mol. Its IUPAC name is 2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID139339954
Molecular FormulaC50H26N4O2
Molecular Weight714.78 g/mol
Exact Mass714.21
IUPAC Name2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C50H26N4O2/c51-27-29-10-9-11-30(28-52)46(29)38-21-20-31(53-39-16-5-1-14-36(39)47-41(53)24-22-34-32-12-3-7-18-44(32)55-49(34)47)26-43(38)54-40-17-6-2-15-37(40)48-42(54)25-23-35-33-13-4-8-19-45(33)56-50(35)48/h1-26H
InChIKeyHMFIMWVFUDLXKF-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-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]phenyl]-3-isocyanobenzonitrile
CID 153411275
4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 139339834
2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile
CID 139340001
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 166987592
4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(4-cyanophenyl)benzonitrile
CID 139339613
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328699
3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324616
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-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
2-[4-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]benzonitrile
CID 139339960
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]benzonitrile
CID 140794058

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile (CID 139339954) is 2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is HMFIMWVFUDLXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26N4O2/c51-27-29-10-9-11-30(28-52)46(29)38-21-20-31(53-39-16-5-1-14-36(39)47-41(53)24-22-34-32-12-3-7-18-44(32)55-49(34)47)26-43(38)54-40-17-6-2-15-37(40)48-42(54)25-23-35-33-13-4-8-19-45(33)56-50(35)48/h1-26H.
What are the key properties of 2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile 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-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 139339954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).