3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole

C57H34N4O2 — CID 168768529

IUPAC3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6ccccc6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)n2)cc1
InChIInChI=1S/C57H34N4O2/c1-3-14-35(15-4-1)55-58-56(38-28-31-51-46(34-38)43-21-10-12-24-50(43)62-51)60-57(59-55)44-22-13-25-53-54(44)47-33-37(27-30-52(47)63-53)41-19-8-7-18-40(41)36-26-29-49-45(32-36)42-20-9-11-23-48(42)61(49)39-16-5-2-6-17-39/h1-34H
InChIKeyVCMCMMMJXMDYBH-UHFFFAOYSA-N
MW806.93 g/mol
LogP15.10
Rot. Bonds6

About 3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole

3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 168768529) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
PubChem CID168768529
Molecular FormulaC57H34N4O2
Molecular Weight806.93 g/mol
Exact Mass806.27
IUPAC Name3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6ccccc6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)n2)cc1
InChIInChI=1S/C57H34N4O2/c1-3-14-35(15-4-1)55-58-56(38-28-31-51-46(34-38)43-21-10-12-24-50(43)62-51)60-57(59-55)44-22-13-25-53-54(44)47-33-37(27-30-52(47)63-53)41-19-8-7-18-40(41)36-26-29-49-45(32-36)42-20-9-11-23-48(42)61(49)39-16-5-2-6-17-39/h1-34H
InChIKeyVCMCMMMJXMDYBH-UHFFFAOYSA-N
XLogP15.10
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.93
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
3-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768287
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767734
3-[9-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768803
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 165008539
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 118508108

Frequently Asked Questions

What is the IUPAC name of 3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole (CID 168768529) is 3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6ccccc6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)n2)cc1.
What is the InChIKey of 3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is VCMCMMMJXMDYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-3-14-35(15-4-1)55-58-56(38-28-31-51-46(34-38)43-21-10-12-24-50(43)62-51)60-57(59-55)44-22-13-25-53-54(44)47-33-37(27-30-52(47)63-53)41-19-8-7-18-40(41)36-26-29-49-45(32-36)42-20-9-11-23-48(42)61(49)39-16-5-2-6-17-39/h1-34H.
What are the key properties of 3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole?
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 806.93 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 168768529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).