9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole

C46H29N3O — CID 170106292

IUPAC9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cc(-c3cccc4c3oc3c(-n5c6ccccc6c6c(-c7ccccc7)cccc65)cccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O/c1-4-15-30(16-5-1)33-22-13-27-41-43(33)37-21-10-11-26-40(37)49(41)42-28-14-24-35-34-23-12-25-36(44(34)50-45(35)42)39-29-38(31-17-6-2-7-18-31)47-46(48-39)32-19-8-3-9-20-32/h1-29H
InChIKeyCIKHMMUYNIJPIC-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.14
Rot. Bonds5

About 9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole

9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole (PubChem CID 170106292) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole
PubChem CID170106292
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cc(-c3cccc4c3oc3c(-n5c6ccccc6c6c(-c7ccccc7)cccc65)cccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O/c1-4-15-30(16-5-1)33-22-13-27-41-43(33)37-21-10-11-26-40(37)49(41)42-28-14-24-35-34-23-12-25-36(44(34)50-45(35)42)39-29-38(31-17-6-2-7-18-31)47-46(48-39)32-19-8-3-9-20-32/h1-29H
InChIKeyCIKHMMUYNIJPIC-UHFFFAOYSA-N
XLogP12.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556110
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole
CID 155203344
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146335946
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707544
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole
CID 146543296
9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556028
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688

Frequently Asked Questions

What is the IUPAC name of 9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole?
The IUPAC name of 9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole (CID 170106292) is 9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole is c1ccc(-c2cc(-c3cccc4c3oc3c(-n5c6ccccc6c6c(-c7ccccc7)cccc65)cccc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole?
The InChIKey is CIKHMMUYNIJPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-4-15-30(16-5-1)33-22-13-27-41-43(33)37-21-10-11-26-40(37)49(41)42-28-14-24-35-34-23-12-25-36(44(34)50-45(35)42)39-29-38(31-17-6-2-7-18-31)47-46(48-39)32-19-8-3-9-20-32/h1-29H.
What are the key properties of 9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole?
9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole has a molecular weight of 639.76 g/mol, XLogP of 12.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole is sourced from PubChem (CID 170106292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).