5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole

C49H30N4O — CID 166916866

IUPAC5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc7ccccc7cc65)c4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-2-13-31(14-3-1)47-50-48(52-49(51-47)41-24-12-23-40-39-22-7-9-26-45(39)54-46(40)41)36-19-10-17-32(27-36)33-18-11-20-37(28-33)53-43-25-8-6-21-38(43)42-29-34-15-4-5-16-35(34)30-44(42)53/h1-30H
InChIKeyGETANAHCNPNMFX-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.69
Rot. Bonds5

About 5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole

5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole (PubChem CID 166916866) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
PubChem CID166916866
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc7ccccc7cc65)c4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-2-13-31(14-3-1)47-50-48(52-49(51-47)41-24-12-23-40-39-22-7-9-26-45(39)54-46(40)41)36-19-10-17-32(27-36)33-18-11-20-37(28-33)53-43-25-8-6-21-38(43)42-29-34-15-4-5-16-35(34)30-44(42)53/h1-30H
InChIKeyGETANAHCNPNMFX-UHFFFAOYSA-N
XLogP12.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916170
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814
9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283311
11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163883383
5-[3-dibenzofuran-4-yl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430338
5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362950
4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;7-(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 163529278
5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430334

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole (CID 166916866) is 5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc7ccccc7cc65)c4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole?
The InChIKey is GETANAHCNPNMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-2-13-31(14-3-1)47-50-48(52-49(51-47)41-24-12-23-40-39-22-7-9-26-45(39)54-46(40)41)36-19-10-17-32(27-36)33-18-11-20-37(28-33)53-43-25-8-6-21-38(43)42-29-34-15-4-5-16-35(34)30-44(42)53/h1-30H.
What are the key properties of 5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole?
5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole has a molecular weight of 690.81 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 166916866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).