2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile

C42H25N3O — CID 129225725

IUPAC2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cccc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1
InChIInChI=1S/C42H25N3O/c43-26-28-13-4-5-14-32(28)29-23-30(37-18-10-17-36(44-37)27-11-2-1-3-12-27)25-31(24-29)45-38-19-8-6-15-33(38)34-21-22-40-41(42(34)45)35-16-7-9-20-39(35)46-40/h1-25H
InChIKeyBXKKHSNCCFPXDP-UHFFFAOYSA-N
MW587.68 g/mol
LogP10.95
Rot. Bonds4

About 2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile

2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile (PubChem CID 129225725) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
PubChem CID129225725
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cccc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1
InChIInChI=1S/C42H25N3O/c43-26-28-13-4-5-14-32(28)29-23-30(37-18-10-17-36(44-37)27-11-2-1-3-12-27)25-31(24-29)45-38-19-8-6-15-33(38)34-21-22-40-41(42(34)45)35-16-7-9-20-39(35)46-40/h1-25H
InChIKeyBXKKHSNCCFPXDP-UHFFFAOYSA-N
XLogP10.95
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129300177
2-[3-(3,4-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 145306684
12-[3-(2,6-diphenyl-4-pyridinyl)-5-(2-isocyanophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140922288
15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 129141905
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290851
3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile
CID 163657438
3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 129300022
6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146542762
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 139339667
2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163963951

Frequently Asked Questions

What is the IUPAC name of 2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
The IUPAC name of 2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile (CID 129225725) is 2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2cccc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.
What is the InChIKey of 2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
The InChIKey is BXKKHSNCCFPXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c43-26-28-13-4-5-14-32(28)29-23-30(37-18-10-17-36(44-37)27-11-2-1-3-12-27)25-31(24-29)45-38-19-8-6-15-33(38)34-21-22-40-41(42(34)45)35-16-7-9-20-39(35)46-40/h1-25H.
What are the key properties of 2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile has a molecular weight of 587.68 g/mol, XLogP of 10.95, 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-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile is sourced from PubChem (CID 129225725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).