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

C45H28N4O — CID 166495739

IUPAC9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3c2)cc1
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)33-26-37-36-25-24-32(45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31)28-41(36)50-42(37)40(27-33)49-38-22-12-10-20-34(38)35-21-11-13-23-39(35)49/h1-28H
InChIKeyIDKSVWNCTLJFIK-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole (PubChem CID 166495739) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole
PubChem CID166495739
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3c2)cc1
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)33-26-37-36-25-24-32(45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31)28-41(36)50-42(37)40(27-33)49-38-22-12-10-20-34(38)35-21-11-13-23-39(35)49/h1-28H
InChIKeyIDKSVWNCTLJFIK-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

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 139555564
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 166495781
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-2,7-diphenylcarbazole
CID 166495891
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 137496813
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole;9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole;2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 158100934
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole
CID 146395667
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
9-[3-phenyl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 166495709
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747351
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole (CID 166495739) is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3c2)cc1.
What is the InChIKey of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole?
The InChIKey is IDKSVWNCTLJFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-14-29(15-5-1)33-26-37-36-25-24-32(45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31)28-41(36)50-42(37)40(27-33)49-38-22-12-10-20-34(38)35-21-11-13-23-39(35)49/h1-28H.
What are the key properties of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole?
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-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 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]carbazole is sourced from PubChem (CID 166495739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).