5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole

C53H32N4O — CID 155474965

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5oc6ccc7ccccc7c6c45)c3)n2)cc1
InChIInChI=1S/C53H32N4O/c1-3-15-34(16-4-1)51-54-52(35-17-5-2-6-18-35)56-53(55-51)38-26-28-45(57-44-24-12-11-22-40(44)42-30-36-19-7-8-20-37(36)32-46(42)57)43(31-38)41-23-13-25-47-50(41)49-39-21-10-9-14-33(39)27-29-48(49)58-47/h1-32H
InChIKeyANCJVFFKFBUYDC-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.84
Rot. Bonds5

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole (PubChem CID 155474965) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
PubChem CID155474965
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5oc6ccc7ccccc7c6c45)c3)n2)cc1
InChIInChI=1S/C53H32N4O/c1-3-15-34(16-4-1)51-54-52(35-17-5-2-6-18-35)56-53(55-51)38-26-28-45(57-44-24-12-11-22-40(44)42-30-36-19-7-8-20-37(36)32-46(42)57)43(31-38)41-23-13-25-47-50(41)49-39-21-10-9-14-33(39)27-29-48(49)58-47/h1-32H
InChIKeyANCJVFFKFBUYDC-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole 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

5-[2-naphtho[1,2-b][1]benzofuran-7-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474711
5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474903
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155475122
5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole
CID 155474988
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole
CID 155474916
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzothiol-11-ylphenyl]benzo[b]carbazole
CID 155474859
5-[2-dibenzothiophen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475233
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzothiol-7-ylphenyl]benzo[b]carbazole
CID 155474842
5-[2-naphtho[1,2-b][1]benzofuran-6-yl-4-(4-phenyl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474553
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[2,3-b][1]benzothiol-1-ylphenyl]benzo[b]carbazole
CID 155474598
5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole
CID 155474665

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole (CID 155474965) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4cccc5oc6ccc7ccccc7c6c45)c3)n2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole?
The InChIKey is ANCJVFFKFBUYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-3-15-34(16-4-1)51-54-52(35-17-5-2-6-18-35)56-53(55-51)38-26-28-45(57-44-24-12-11-22-40(44)42-30-36-19-7-8-20-37(36)32-46(42)57)43(31-38)41-23-13-25-47-50(41)49-39-21-10-9-14-33(39)27-29-48(49)58-47/h1-32H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole has a molecular weight of 740.87 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155474965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).