7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline

C50H30N4O — CID 174296972

IUPAC7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cc5ccccc5c5c4ccc4ccncc45)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C50H30N4O/c1-2-11-31(12-3-1)36-14-6-7-16-39(36)49-52-48(53-50(54-49)41-18-10-20-45-47(41)40-17-8-9-19-44(40)55-45)34-23-21-32(22-24-34)42-29-35-13-4-5-15-37(35)46-38(42)26-25-33-27-28-51-30-43(33)46/h1-30H
InChIKeyYUTMKZICBIHULA-UHFFFAOYSA-N
MW702.82 g/mol
LogP12.96
Rot. Bonds5

About 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline

7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline (PubChem CID 174296972) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline.

Molecular Properties

Compound Name7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
PubChem CID174296972
Molecular FormulaC50H30N4O
Molecular Weight702.82 g/mol
Exact Mass702.24
IUPAC Name7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cc5ccccc5c5c4ccc4ccncc45)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C50H30N4O/c1-2-11-31(12-3-1)36-14-6-7-16-39(36)49-52-48(53-50(54-49)41-18-10-20-45-47(41)40-17-8-9-19-44(40)55-45)34-23-21-32(22-24-34)42-29-35-13-4-5-15-37(35)46-38(42)26-25-33-27-28-51-30-43(33)46/h1-30H
InChIKeyYUTMKZICBIHULA-UHFFFAOYSA-N
XLogP12.96
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.82
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline 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

12-[3-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
CID 174297066
2-dibenzofuran-1-yl-4-(10-phenylphenanthren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174314611
2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
CID 164955925
5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-h]isoquinoline
CID 174288208
10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline
CID 174298468
9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168784979
2,4-di(dibenzofuran-1-yl)-6-[3-(10-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine
CID 174314994
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785048
2-dibenzofuran-1-yl-4-(7-phenylphenanthren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(10-phenylphenanthren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 164965307
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(12-phenylbenzo[g]phenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(12-phenylbenzo[c]phenanthren-2-yl)-1,3,5-triazine
CID 162244193
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
2-(7-phenanthren-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741783

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline?
The IUPAC name of 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline (CID 174296972) is 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline.
What is the SMILES notation for 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline?
The canonical SMILES for 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline is c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cc5ccccc5c5c4ccc4ccncc45)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline?
The InChIKey is YUTMKZICBIHULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c1-2-11-31(12-3-1)36-14-6-7-16-39(36)49-52-48(53-50(54-49)41-18-10-20-45-47(41)40-17-8-9-19-44(40)55-45)34-23-21-32(22-24-34)42-29-35-13-4-5-15-37(35)46-38(42)26-25-33-27-28-51-30-43(33)46/h1-30H.
What are the key properties of 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline?
7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline has a molecular weight of 702.82 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline is sourced from PubChem (CID 174296972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).