3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole

C50H29N3O2 — CID 146336134

IUPAC3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cccc34)c3ccccc3n2)cc1
InChIInChI=1S/C50H29N3O2/c1-2-11-30(12-3-1)50-51-41-17-7-4-15-38(41)48(52-50)33-21-24-36-37-16-10-19-44(49(37)55-47(36)29-33)53-42-18-8-5-13-34(42)39-27-31(22-25-43(39)53)32-23-26-46-40(28-32)35-14-6-9-20-45(35)54-46/h1-29H
InChIKeyRSXZYIFCOPLJAG-UHFFFAOYSA-N
MW703.80 g/mol
LogP13.53
Rot. Bonds4

About 3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole

3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole (PubChem CID 146336134) has the molecular formula C50H29N3O2 and a molecular weight of 703.80 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
PubChem CID146336134
Molecular FormulaC50H29N3O2
Molecular Weight703.80 g/mol
Exact Mass703.23
IUPAC Name3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cccc34)c3ccccc3n2)cc1
InChIInChI=1S/C50H29N3O2/c1-2-11-30(12-3-1)50-51-41-17-7-4-15-38(41)48(52-50)33-21-24-36-37-16-10-19-44(49(37)55-47(36)29-33)53-42-18-8-5-13-34(42)39-27-31(22-25-43(39)53)32-23-26-46-40(28-32)35-14-6-9-20-45(35)54-46/h1-29H
InChIKeyRSXZYIFCOPLJAG-UHFFFAOYSA-N
XLogP13.53
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.80
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
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-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
2,7-diphenyl-9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole;2-phenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole;3-phenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole;4-phenyl-9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole;11-phenyl-12-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[2,3-a]carbazole;7-phenyl-5-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[2,3-b]carbazole;9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 161130265
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
CID 146395679
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146335703

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole (CID 146336134) is 3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cccc34)c3ccccc3n2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is RSXZYIFCOPLJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N3O2/c1-2-11-30(12-3-1)50-51-41-17-7-4-15-38(41)48(52-50)33-21-24-36-37-16-10-19-44(49(37)55-47(36)29-33)53-42-18-8-5-13-34(42)39-27-31(22-25-43(39)53)32-23-26-46-40(28-32)35-14-6-9-20-45(35)54-46/h1-29H.
What are the key properties of 3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole?
3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 703.80 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 146336134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).