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

C51H32N4O — CID 156549397

IUPAC1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5oc6ccccc6c45)c2n3-c2ccccc2)cc1
InChIInChI=1S/C51H32N4O/c1-5-16-33(17-6-1)36-28-29-44-42(30-36)39-25-15-26-40(48(39)55(44)38-22-11-4-12-23-38)43-31-37(32-46-47(43)41-24-13-14-27-45(41)56-46)51-53-49(34-18-7-2-8-19-34)52-50(54-51)35-20-9-3-10-21-35/h1-32H
InChIKeyNIRMJEPXEFXQRS-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole (PubChem CID 156549397) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole
PubChem CID156549397
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5oc6ccccc6c45)c2n3-c2ccccc2)cc1
InChIInChI=1S/C51H32N4O/c1-5-16-33(17-6-1)36-28-29-44-42(30-36)39-25-15-26-40(48(39)55(44)38-22-11-4-12-23-38)43-31-37(32-46-47(43)41-24-13-14-27-45(41)56-46)51-53-49(34-18-7-2-8-19-34)52-50(54-51)35-20-9-3-10-21-35/h1-32H
InChIKeyNIRMJEPXEFXQRS-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 162775202
9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 162775185
6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
CID 155201239
3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768312
6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201179
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154602228
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362624
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083
6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201210
3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168768081
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole?
The IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole (CID 156549397) is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole.
What is the SMILES notation for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole?
The canonical SMILES for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5oc6ccccc6c45)c2n3-c2ccccc2)cc1.
What is the InChIKey of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole?
The InChIKey is NIRMJEPXEFXQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-16-33(17-6-1)36-28-29-44-42(30-36)39-25-15-26-40(48(39)55(44)38-22-11-4-12-23-38)43-31-37(32-46-47(43)41-24-13-14-27-45(41)56-46)51-53-49(34-18-7-2-8-19-34)52-50(54-51)35-20-9-3-10-21-35/h1-32H.
What are the key properties of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole?
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 156549397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).