4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole

C45H28N4O — CID 166952410

IUPAC4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)oc2c(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)n4)cccc23)cc1
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-34-35-22-12-23-37(42(35)50-40(34)28-32)44-46-43(31-18-8-3-9-19-31)47-45(48-44)49-38-24-11-10-20-36(38)41-33(21-13-25-39(41)49)30-16-6-2-7-17-30/h1-28H
InChIKeyFFYDLKQMQWHOHI-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

About 4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole

4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 166952410) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID166952410
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)oc2c(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)n4)cccc23)cc1
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-34-35-22-12-23-37(42(35)50-40(34)28-32)44-46-43(31-18-8-3-9-19-31)47-45(48-44)49-38-24-11-10-20-36(38)41-33(21-13-25-39(41)49)30-16-6-2-7-17-30/h1-28H
InChIKeyFFYDLKQMQWHOHI-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

9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 160965442
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146335946
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164978383
4-dibenzofuran-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491359
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
9-[4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-phenyl-9-[4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 161421501
9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952775
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118
11-phenyl-12-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 156557722

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole (CID 166952410) is 4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc3c(c2)oc2c(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)n4)cccc23)cc1.
What is the InChIKey of 4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is FFYDLKQMQWHOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-34-35-22-12-23-37(42(35)50-40(34)28-32)44-46-43(31-18-8-3-9-19-31)47-45(48-44)49-38-24-11-10-20-36(38)41-33(21-13-25-39(41)49)30-16-6-2-7-17-30/h1-28H.
What are the key properties of 4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole 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 4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166952410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).