11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole

C43H26N4O — CID 164847730

IUPAC11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6ccccc6c54)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C43H26N4O/c1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)30-25-36(39-34-20-10-12-22-37(34)48-38(39)26-30)47-35-21-11-9-19-32(35)33-24-23-27-13-7-8-18-31(27)40(33)47/h1-26H
InChIKeyZLNWJMIJOMPFRN-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.02
Rot. Bonds4

About 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole (PubChem CID 164847730) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole
PubChem CID164847730
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6ccccc6c54)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C43H26N4O/c1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)30-25-36(39-34-20-10-12-22-37(34)48-38(39)26-30)47-35-21-11-9-19-32(35)33-24-23-27-13-7-8-18-31(27)40(33)47/h1-26H
InChIKeyZLNWJMIJOMPFRN-UHFFFAOYSA-N
XLogP11.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
CID 146976667
11-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[a]carbazole
CID 163853213
12-[3-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 167044066
5-[3-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348049
11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole
CID 164847979
12-[3-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-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 167348099
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700020
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141
9-[3-phenyl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 166495709
9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 166916763
12-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166915926
5-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole;9-[5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]carbazole;bis(9-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]carbazole);11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[a]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 165000310

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole?
The IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole (CID 164847730) is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole.
What is the SMILES notation for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole?
The canonical SMILES for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6ccccc6c54)c4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole?
The InChIKey is ZLNWJMIJOMPFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)30-25-36(39-34-20-10-12-22-37(34)48-38(39)26-30)47-35-21-11-9-19-32(35)33-24-23-27-13-7-8-18-31(27)40(33)47/h1-26H.
What are the key properties of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole?
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole has a molecular weight of 614.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole is sourced from PubChem (CID 164847730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).