3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile

C49H29N3O — CID 129300022

IUPAC3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C49H29N3O/c50-30-34-13-10-19-43(52-42-18-8-5-15-37(42)39-27-28-46-48(49(39)52)40-16-6-9-20-45(40)53-46)47(34)32-21-24-35(25-22-32)51-41-17-7-4-14-36(41)38-26-23-33(29-44(38)51)31-11-2-1-3-12-31/h1-29H
InChIKeyKRRGBHSTQRJOPL-UHFFFAOYSA-N
MW675.79 g/mol
LogP12.99
Rot. Bonds4

About 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile

3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 129300022) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID129300022
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C49H29N3O/c50-30-34-13-10-19-43(52-42-18-8-5-15-37(42)39-27-28-46-48(49(39)52)40-16-6-9-20-45(40)53-46)47(34)32-21-24-35(25-22-32)51-41-17-7-4-14-36(41)38-26-23-33(29-44(38)51)31-11-2-1-3-12-31/h1-29H
InChIKeyKRRGBHSTQRJOPL-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

Analyze 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile with MolForge

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Related Compounds

9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 126582483
2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290851
5-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-isocyanophenyl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]carbazole
CID 140793941
9-[4-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155081355
9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 152884793
2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 164730398
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081587
5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-(3-isocyanocarbazol-9-yl)benzonitrile
CID 140794217
3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile
CID 163657438
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile (CID 129300022) is 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile is N#Cc1cccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1.
What is the InChIKey of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is KRRGBHSTQRJOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c50-30-34-13-10-19-43(52-42-18-8-5-15-37(42)39-27-28-46-48(49(39)52)40-16-6-9-20-45(40)53-46)47(34)32-21-24-35(25-22-32)51-41-17-7-4-14-36(41)38-26-23-33(29-44(38)51)31-11-2-1-3-12-31/h1-29H.
What are the key properties of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile?
3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-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 3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 129300022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).