4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile

C40H23N5O — CID 163564142

IUPAC4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile
SMILESN#Cc1cc(C#N)c2c(c1)NC(c1ccccc1)=NC2c1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1
InChIInChI=1S/C40H23N5O/c41-22-24-20-27(23-42)36-32(21-24)43-40(26-8-2-1-3-9-26)44-38(36)25-14-16-28(17-15-25)45-33-12-6-4-10-29(33)30-18-19-35-37(39(30)45)31-11-5-7-13-34(31)46-35/h1-21,38H,(H,43,44)
InChIKeyFTTLQCANDWRXPZ-UHFFFAOYSA-N
MW589.66 g/mol
LogP9.39
Rot. Bonds3

About 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile

4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile (PubChem CID 163564142) has the molecular formula C40H23N5O and a molecular weight of 589.66 g/mol. Its IUPAC name is 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile.

Molecular Properties

Compound Name4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile
PubChem CID163564142
Molecular FormulaC40H23N5O
Molecular Weight589.66 g/mol
Exact Mass589.19
IUPAC Name4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile
SMILESN#Cc1cc(C#N)c2c(c1)NC(c1ccccc1)=NC2c1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1
InChIInChI=1S/C40H23N5O/c41-22-24-20-27(23-42)36-32(21-24)43-40(26-8-2-1-3-9-26)44-38(36)25-14-16-28(17-15-25)45-33-12-6-4-10-29(33)30-18-19-35-37(39(30)45)31-11-5-7-13-34(31)46-35/h1-21,38H,(H,43,44)
InChIKeyFTTLQCANDWRXPZ-UHFFFAOYSA-N
XLogP9.39
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.66
LogP ≤ 59.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-methyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile
CID 163841330
2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290851
4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)-2-cyanophenyl]-2-phenyl-1,4-dihydroquinazoline-6,8-dicarbonitrile
CID 163924416
9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile
CID 140842346
3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 129300022
3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129300177
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
9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 126582483
2,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 167208960
3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-(9-fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)benzonitrile
CID 164730338
3,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(3-cyanophenyl)benzonitrile
CID 139432764

Frequently Asked Questions

What is the IUPAC name of 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile?
The IUPAC name of 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile (CID 163564142) is 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile.
What is the SMILES notation for 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile?
The canonical SMILES for 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile is N#Cc1cc(C#N)c2c(c1)NC(c1ccccc1)=NC2c1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.
What is the InChIKey of 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile?
The InChIKey is FTTLQCANDWRXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N5O/c41-22-24-20-27(23-42)36-32(21-24)43-40(26-8-2-1-3-9-26)44-38(36)25-14-16-28(17-15-25)45-33-12-6-4-10-29(33)30-18-19-35-37(39(30)45)31-11-5-7-13-34(31)46-35/h1-21,38H,(H,43,44).
What are the key properties of 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile?
4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile has a molecular weight of 589.66 g/mol, XLogP of 9.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-phenyl-1,4-dihydroquinazoline-5,7-dicarbonitrile is sourced from PubChem (CID 163564142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).