5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole

C51H30N4O — CID 146491412

IUPAC5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc45)n3)ccc2c1
InChIInChI=1S/C51H30N4O/c1-3-11-33-25-37(19-17-31(33)9-1)49-52-50(38-20-18-32-10-2-4-12-34(32)26-38)54-51(53-49)39-21-23-42-44-30-40(22-24-47(44)56-48(42)29-39)55-45-16-8-7-15-41(45)43-27-35-13-5-6-14-36(35)28-46(43)55/h1-30H
InChIKeyYNUORCSDFFGDQV-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.33
Rot. Bonds4

About 5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole

5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 146491412) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID146491412
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc45)n3)ccc2c1
InChIInChI=1S/C51H30N4O/c1-3-11-33-25-37(19-17-31(33)9-1)49-52-50(38-20-18-32-10-2-4-12-34(32)26-38)54-51(53-49)39-21-23-42-44-30-40(22-24-47(44)56-48(42)29-39)55-45-16-8-7-15-41(45)43-27-35-13-5-6-14-36(35)28-46(43)55/h1-30H
InChIKeyYNUORCSDFFGDQV-UHFFFAOYSA-N
XLogP13.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[a]carbazole;5-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole;7-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole
CID 163755482
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 146336156
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
9-(16-naphthalen-2-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)carbazole
CID 59147212
12-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole;5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,7-diphenylcarbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3,6-diphenylcarbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-phenylcarbazole;12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 158313830
9-carbazol-9-yl-5-[7-(2-dibenzofuran-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375561
9-[4-(7-carbazol-9-yldibenzofuran-2-yl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]carbazole
CID 170371144
5-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166917850
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-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 155382620
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
12-[6-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-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 163846224
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 146491412) is 5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc45)n3)ccc2c1.
What is the InChIKey of 5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is YNUORCSDFFGDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-3-11-33-25-37(19-17-31(33)9-1)49-52-50(38-20-18-32-10-2-4-12-34(32)26-38)54-51(53-49)39-21-23-42-44-30-40(22-24-47(44)56-48(42)29-39)55-45-16-8-7-15-41(45)43-27-35-13-5-6-14-36(35)28-46(43)55/h1-30H.
What are the key properties of 5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole?
5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 714.83 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146491412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).