9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole

C46H29N3O — CID 139556117

IUPAC9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5c4c4ccccc4n5-c4ccc5oc6ccccc6c5c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C46H29N3O/c1-3-13-30(14-4-1)32-17-11-18-33(27-32)39-29-40(48-46(47-39)31-15-5-2-6-16-31)36-21-12-23-42-45(36)37-20-7-9-22-41(37)49(42)34-25-26-44-38(28-34)35-19-8-10-24-43(35)50-44/h1-29H
InChIKeyBPNFRBCWJCHDHN-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.14
Rot. Bonds5

About 9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole

9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole (PubChem CID 139556117) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
PubChem CID139556117
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5c4c4ccccc4n5-c4ccc5oc6ccccc6c5c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C46H29N3O/c1-3-13-30(14-4-1)32-17-11-18-33(27-32)39-29-40(48-46(47-39)31-15-5-2-6-16-31)36-21-12-23-42-45(36)37-20-7-9-22-41(37)49(42)34-25-26-44-38(28-34)35-19-8-10-24-43(35)50-44/h1-29H
InChIKeyBPNFRBCWJCHDHN-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139556325
9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole
CID 166952321
9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556028
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245
9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556153
3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161261635
9-dibenzofuran-2-yl-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961355
4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 170534380
2-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139555285
4-[9-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768741
2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline
CID 139303970

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole?
The IUPAC name of 9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole (CID 139556117) is 9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole is c1ccc(-c2cccc(-c3cc(-c4cccc5c4c4ccccc4n5-c4ccc5oc6ccccc6c5c4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole?
The InChIKey is BPNFRBCWJCHDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-3-13-30(14-4-1)32-17-11-18-33(27-32)39-29-40(48-46(47-39)31-15-5-2-6-16-31)36-21-12-23-42-45(36)37-20-7-9-22-41(37)49(42)34-25-26-44-38(28-34)35-19-8-10-24-43(35)50-44/h1-29H.
What are the key properties of 9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole?
9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole 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-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole is sourced from PubChem (CID 139556117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).