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

C49H28N4O2 — CID 163705036

IUPAC5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4c3oc3ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H28N4O2/c1-2-13-29(14-3-1)47-50-48(36-20-12-24-44-45(36)35-19-8-11-23-43(35)54-44)52-49(51-47)39-28-32(27-38-34-18-7-10-22-42(34)55-46(38)39)53-40-21-9-6-17-33(40)37-25-30-15-4-5-16-31(30)26-41(37)53/h1-28H
InChIKeyKEIJVYWMIFHGIP-UHFFFAOYSA-N
MW704.79 g/mol
LogP12.92
Rot. Bonds4

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

5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 163705036) has the molecular formula C49H28N4O2 and a molecular weight of 704.79 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID163705036
Molecular FormulaC49H28N4O2
Molecular Weight704.79 g/mol
Exact Mass704.22
IUPAC Name5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4c3oc3ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H28N4O2/c1-2-13-29(14-3-1)47-50-48(36-20-12-24-44-45(36)35-19-8-11-23-43(35)54-44)52-49(51-47)39-28-32(27-38-34-18-7-10-22-42(34)55-46(38)39)53-40-21-9-6-17-33(40)37-25-30-15-4-5-16-31(30)26-41(37)53/h1-28H
InChIKeyKEIJVYWMIFHGIP-UHFFFAOYSA-N
XLogP12.92
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.79
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
5-[4-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347449
9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 170228264
12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-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 167347572
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698980
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347922
9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495859
5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 155382790
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
12-[8-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]-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 155042465
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043577
5-[4-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043585

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 163705036) is 5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5cc6ccccc6cc54)cc4c3oc3ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is KEIJVYWMIFHGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4O2/c1-2-13-29(14-3-1)47-50-48(36-20-12-24-44-45(36)35-19-8-11-23-43(35)54-44)52-49(51-47)39-28-32(27-38-34-18-7-10-22-42(34)55-46(38)39)53-40-21-9-6-17-33(40)37-25-30-15-4-5-16-31(30)26-41(37)53/h1-28H.
What are the key properties of 5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 704.79 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 163705036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).