4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole

C51H30N4O2 — CID 170534380

IUPAC4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5nc(-c6ccc7oc8ccccc8c7c6)nc(-c6cccc7oc8ccccc8c67)n5)cccc43)cc2)cc1
InChIInChI=1S/C51H30N4O2/c1-2-12-31(13-3-1)32-24-27-34(28-25-32)55-41-19-7-4-15-36(41)47-38(17-10-20-42(47)55)50-52-49(33-26-29-45-40(30-33)35-14-5-8-21-43(35)56-45)53-51(54-50)39-18-11-23-46-48(39)37-16-6-9-22-44(37)57-46/h1-30H
InChIKeyFQKWOWSJHSLDDT-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

About 4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole

4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 170534380) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
PubChem CID170534380
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5nc(-c6ccc7oc8ccccc8c7c6)nc(-c6cccc7oc8ccccc8c67)n5)cccc43)cc2)cc1
InChIInChI=1S/C51H30N4O2/c1-2-12-31(13-3-1)32-24-27-34(28-25-32)55-41-19-7-4-15-36(41)47-38(17-10-20-42(47)55)50-52-49(33-26-29-45-40(30-33)35-14-5-8-21-43(35)56-45)53-51(54-50)39-18-11-23-46-48(39)37-16-6-9-22-44(37)57-46/h1-30H
InChIKeyFQKWOWSJHSLDDT-UHFFFAOYSA-N
XLogP13.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139556325
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 159816656
9-[3-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 167032367
9-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 174245138
4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273198
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768529
9-phenyl-14-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176817804
4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767945
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole (CID 170534380) is 4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5nc(-c6ccc7oc8ccccc8c7c6)nc(-c6cccc7oc8ccccc8c67)n5)cccc43)cc2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is FQKWOWSJHSLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-2-12-31(13-3-1)32-24-27-34(28-25-32)55-41-19-7-4-15-36(41)47-38(17-10-20-42(47)55)50-52-49(33-26-29-45-40(30-33)35-14-5-8-21-43(35)56-45)53-51(54-50)39-18-11-23-46-48(39)37-16-6-9-22-44(37)57-46/h1-30H.
What are the key properties of 4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole?
4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 730.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 170534380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).