3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile

C30H17N3O — CID 163657438

IUPAC3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccccc2)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C30H17N3O/c31-17-24-26(16-20(18-32-24)19-8-2-1-3-9-19)33-25-12-6-4-10-21(25)22-14-15-28-29(30(22)33)23-11-5-7-13-27(23)34-28/h1-16,18H
InChIKeySBCCZQWIVNYTBL-UHFFFAOYSA-N
MW435.49 g/mol
LogP7.62
Rot. Bonds2

About 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile

3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile (PubChem CID 163657438) has the molecular formula C30H17N3O and a molecular weight of 435.49 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile
PubChem CID163657438
Molecular FormulaC30H17N3O
Molecular Weight435.49 g/mol
Exact Mass435.14
IUPAC Name3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccccc2)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C30H17N3O/c31-17-24-26(16-20(18-32-24)19-8-2-1-3-9-19)33-25-12-6-4-10-21(25)22-14-15-28-29(30(22)33)23-11-5-7-13-27(23)34-28/h1-16,18H
InChIKeySBCCZQWIVNYTBL-UHFFFAOYSA-N
XLogP7.62
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile
CID 163576090
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049
3-[3-cyano-4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-5-phenylpyridine-2-carbonitrile
CID 167012503
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
CID 146976667
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
2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 148760237
2,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 167208960
2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 164730398
2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 129225725
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 129141729
2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290851

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile?
The IUPAC name of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile (CID 163657438) is 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile.
What is the SMILES notation for 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile?
The canonical SMILES for 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile is N#Cc1ncc(-c2ccccc2)cc1-n1c2ccccc2c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile?
The InChIKey is SBCCZQWIVNYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N3O/c31-17-24-26(16-20(18-32-24)19-8-2-1-3-9-19)33-25-12-6-4-10-21(25)22-14-15-28-29(30(22)33)23-11-5-7-13-27(23)34-28/h1-16,18H.
What are the key properties of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile?
3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-phenylpyridine-2-carbonitrile has a molecular weight of 435.49 g/mol, XLogP of 7.62, 2 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)-5-phenylpyridine-2-carbonitrile is sourced from PubChem (CID 163657438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).