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

C45H28N4O — CID 162775202

IUPAC1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C45H28N4O/c1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)31-27-37(41-36-22-11-13-26-39(36)50-40(41)28-31)35-24-14-23-34-33-21-10-12-25-38(33)49(42(34)35)32-19-8-3-9-20-32/h1-28H
InChIKeyMNJFJDIGLMJRCD-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 162775202) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
PubChem CID162775202
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C45H28N4O/c1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)31-27-37(41-36-22-11-13-26-39(36)50-40(41)28-31)35-24-14-23-34-33-21-10-12-25-38(33)49(42(34)35)32-19-8-3-9-20-32/h1-28H
InChIKeyMNJFJDIGLMJRCD-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
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]-6,9-diphenylcarbazole
CID 156549397
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
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
CID 170192632
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,12-diphenyl-[1]benzofuro[3,2-a]carbazole
CID 163848310
9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 162775185
9-phenyl-1-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 168768785
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752
7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163626734
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 118507595

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (CID 162775202) is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The InChIKey is MNJFJDIGLMJRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-15-29(16-5-1)43-46-44(30-17-6-2-7-18-30)48-45(47-43)31-27-37(41-36-22-11-13-26-39(36)50-40(41)28-31)35-24-14-23-34-33-21-10-12-25-38(33)49(42(34)35)32-19-8-3-9-20-32/h1-28H.
What are the key properties of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 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]-9-phenylcarbazole is sourced from PubChem (CID 162775202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).