4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile

C50H28N4O — CID 139339834

IUPAC4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C#N)c1-c1ccccc1
InChIInChI=1S/C50H28N4O/c51-29-32-22-24-34(41(30-52)48(32)31-12-2-1-3-13-31)37-25-23-33(53-42-18-8-4-14-35(42)36-15-5-9-19-43(36)53)28-46(37)54-44-20-10-6-17-40(44)49-45(54)27-26-39-38-16-7-11-21-47(38)55-50(39)49/h1-28H
InChIKeyFXHAMXNVFCMIIC-UHFFFAOYSA-N
MW700.80 g/mol
LogP12.86
Rot. Bonds4

About 4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile

4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile (PubChem CID 139339834) has the molecular formula C50H28N4O and a molecular weight of 700.80 g/mol. Its IUPAC name is 4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile
PubChem CID139339834
Molecular FormulaC50H28N4O
Molecular Weight700.80 g/mol
Exact Mass700.23
IUPAC Name4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C#N)c1-c1ccccc1
InChIInChI=1S/C50H28N4O/c51-29-32-22-24-34(41(30-52)48(32)31-12-2-1-3-13-31)37-25-23-33(53-42-18-8-4-14-35(42)36-15-5-9-19-43(36)53)28-46(37)54-44-20-10-6-17-40(44)49-45(54)27-26-39-38-16-7-11-21-47(38)55-50(39)49/h1-28H
InChIKeyFXHAMXNVFCMIIC-UHFFFAOYSA-N
XLogP12.86
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.80
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile
CID 139340001
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339954
2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]phenyl]-3-isocyanobenzonitrile
CID 153411275
3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile
CID 158737110
4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(4-cyanophenyl)benzonitrile
CID 139339613
3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324616
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
3-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4-carbazol-9-yl-2,5-dicyanophenyl)benzene-1,2-dicarbonitrile
CID 129290857
5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-cyanophenyl]-4-carbazol-9-ylbenzene-1,2,3-tricarbonitrile
CID 129299852
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
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 121328915

Frequently Asked Questions

What is the IUPAC name of 4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile (CID 139339834) is 4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C#N)c1-c1ccccc1.
What is the InChIKey of 4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile?
The InChIKey is FXHAMXNVFCMIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O/c51-29-32-22-24-34(41(30-52)48(32)31-12-2-1-3-13-31)37-25-23-33(53-42-18-8-4-14-35(42)36-15-5-9-19-43(36)53)28-46(37)54-44-20-10-6-17-40(44)49-45(54)27-26-39-38-16-7-11-21-47(38)55-50(39)49/h1-28H.
What are the key properties of 4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile?
4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile has a molecular weight of 700.80 g/mol, XLogP of 12.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 139339834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).