4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile

C50H30N4O — CID 164835293

IUPAC4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3oc4c5ccccc5c(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5)cc4c23)cc1
InChIInChI=1S/C50H30N4O/c51-31-32-18-20-35(21-19-32)40-16-9-17-45-46(40)44-30-43(41-14-7-8-15-42(41)47(44)55-45)36-26-22-33(23-27-36)34-24-28-39(29-25-34)50-53-48(37-10-3-1-4-11-37)52-49(54-50)38-12-5-2-6-13-38/h1-30H
InChIKeyFIMGUDLRGXBNNX-UHFFFAOYSA-N
MW702.82 g/mol
LogP12.80
Rot. Bonds6

About 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile

4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile (PubChem CID 164835293) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
PubChem CID164835293
Molecular FormulaC50H30N4O
Molecular Weight702.82 g/mol
Exact Mass702.24
IUPAC Name4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3oc4c5ccccc5c(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5)cc4c23)cc1
InChIInChI=1S/C50H30N4O/c51-31-32-18-20-35(21-19-32)40-16-9-17-45-46(40)44-30-43(41-14-7-8-15-42(41)47(44)55-45)36-26-22-33(23-27-36)34-24-28-39(29-25-34)50-53-48(37-10-3-1-4-11-37)52-49(54-50)38-12-5-2-6-13-38/h1-30H
InChIKeyFIMGUDLRGXBNNX-UHFFFAOYSA-N
XLogP12.80
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.82
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile 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-[5-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164834764
7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 163984765
2-[4-[5-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818532
4-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774820
2,4-diphenyl-6-[4-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834896
2-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164835046
4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 169048828
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
2-dibenzofuran-2-yl-4-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176818485
4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]benzonitrile
CID 164834760
2-[4-(7-dibenzofuran-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176818272
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-carbonitrile
CID 164835368

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile?
The IUPAC name of 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile (CID 164835293) is 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile.
What is the SMILES notation for 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile?
The canonical SMILES for 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile is N#Cc1ccc(-c2cccc3oc4c5ccccc5c(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5)cc4c23)cc1.
What is the InChIKey of 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile?
The InChIKey is FIMGUDLRGXBNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c51-31-32-18-20-35(21-19-32)40-16-9-17-45-46(40)44-30-43(41-14-7-8-15-42(41)47(44)55-45)36-26-22-33(23-27-36)34-24-28-39(29-25-34)50-53-48(37-10-3-1-4-11-37)52-49(54-50)38-12-5-2-6-13-38/h1-30H.
What are the key properties of 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile?
4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile has a molecular weight of 702.82 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile is sourced from PubChem (CID 164835293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).