4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine

C50H29N3O2 — CID 170092434

IUPAC4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6oc7ccccc7c6n5)c34)ccc2c1
InChIInChI=1S/C50H29N3O2/c1-2-11-32-28-33(21-20-30(32)10-1)34-24-27-38-45(29-34)54-44-19-9-15-40(46(38)44)50-51-47(49-48(52-50)39-14-5-8-18-43(39)55-49)31-22-25-35(26-23-31)53-41-16-6-3-12-36(41)37-13-4-7-17-42(37)53/h1-29H
InChIKeyRUBHPSAHEOPTDB-UHFFFAOYSA-N
MW703.80 g/mol
LogP13.53
Rot. Bonds4

About 4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine

4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170092434) has the molecular formula C50H29N3O2 and a molecular weight of 703.80 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170092434
Molecular FormulaC50H29N3O2
Molecular Weight703.80 g/mol
Exact Mass703.23
IUPAC Name4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6oc7ccccc7c6n5)c34)ccc2c1
InChIInChI=1S/C50H29N3O2/c1-2-11-32-28-33(21-20-30(32)10-1)34-24-27-38-45(29-34)54-44-19-9-15-40(46(38)44)50-51-47(49-48(52-50)39-14-5-8-18-43(39)55-49)31-22-25-35(26-23-31)53-41-16-6-3-12-36(41)37-13-4-7-17-42(37)53/h1-29H
InChIKeyRUBHPSAHEOPTDB-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

4-chrysen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177129928
9-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167031824
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 146333965
9-[4-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032163
2-[7-naphthalen-2-yl-3-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170092712
2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153309273
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726
4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592796
3-dibenzofuran-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158822227
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342492
7-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142550907

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 170092434) is 4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6oc7ccccc7c6n5)c34)ccc2c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is RUBHPSAHEOPTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N3O2/c1-2-11-32-28-33(21-20-30(32)10-1)34-24-27-38-45(29-34)54-44-19-9-15-40(46(38)44)50-51-47(49-48(52-50)39-14-5-8-18-43(39)55-49)31-22-25-35(26-23-31)53-41-16-6-3-12-36(41)37-13-4-7-17-42(37)53/h1-29H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine?
4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine 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 4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170092434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).