2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile

C49H29N3O — CID 139339701

IUPAC2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
InChIInChI=1S/C49H29N3O/c50-30-32-12-4-5-15-37(32)34-24-33(31-22-23-46-41(27-31)38-16-6-9-19-44(38)51(46)35-13-2-1-3-14-35)25-36(26-34)52-45-20-10-7-17-39(45)42-29-49-43(28-47(42)52)40-18-8-11-21-48(40)53-49/h1-29H
InChIKeyCGLDKHPGKQYIIJ-UHFFFAOYSA-N
MW675.79 g/mol
LogP12.99
Rot. Bonds4

About 2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile

2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile (PubChem CID 139339701) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile
PubChem CID139339701
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
InChIInChI=1S/C49H29N3O/c50-30-32-12-4-5-15-37(32)34-24-33(31-22-23-46-41(27-31)38-16-6-9-19-44(38)51(46)35-13-2-1-3-14-35)25-36(26-34)52-45-20-10-7-17-39(45)42-29-49-43(28-47(42)52)40-18-8-11-21-48(40)53-49/h1-29H
InChIKeyCGLDKHPGKQYIIJ-UHFFFAOYSA-N
XLogP12.99
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[3-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile;9-[3-[3-(3-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile;9-[3-[3-(4-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile
CID 158987615
2-(6-dibenzofuran-2-yl-9-phenylcarbazol-4-yl)benzonitrile
CID 148667920
11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 167193420
2-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]benzonitrile
CID 122552677
6-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 139339988
9-[3-(4-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile;9-[3-(2-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(3-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 159419725
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059
2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 129291049
9-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile;9-[3-[2-(3-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile;9-[3-[2-(4-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile
CID 162133959
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478

Frequently Asked Questions

What is the IUPAC name of 2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile?
The IUPAC name of 2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile (CID 139339701) is 2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1.
What is the InChIKey of 2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile?
The InChIKey is CGLDKHPGKQYIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c50-30-32-12-4-5-15-37(32)34-24-33(31-22-23-46-41(27-31)38-16-6-9-19-44(38)51(46)35-13-2-1-3-14-35)25-36(26-34)52-45-20-10-7-17-39(45)42-29-49-43(28-47(42)52)40-18-8-11-21-48(40)53-49/h1-29H.
What are the key properties of 2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile?
2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile has a molecular weight of 675.79 g/mol, XLogP of 12.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(9-phenylcarbazol-3-yl)phenyl]benzonitrile is sourced from PubChem (CID 139339701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).