8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine

C46H28N4O — CID 177271430

IUPAC8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ncc3oc4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4c3n2)cc1
InChIInChI=1S/C46H28N4O/c1-2-12-29(13-3-1)30-22-24-42-36(26-30)35-17-7-11-21-41(35)50(42)46-47-28-44-45(48-46)37-27-31(23-25-43(37)51-44)32-14-4-8-18-38(32)49-39-19-9-5-15-33(39)34-16-6-10-20-40(34)49/h1-28H
InChIKeyBHLRJEJMBQLHIF-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.90
Rot. Bonds4

About 8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine

8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 177271430) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID177271430
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ncc3oc4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4c3n2)cc1
InChIInChI=1S/C46H28N4O/c1-2-12-29(13-3-1)30-22-24-42-36(26-30)35-17-7-11-21-41(35)50(42)46-47-28-44-45(48-46)37-27-31(23-25-43(37)51-44)32-14-4-8-18-38(32)49-39-19-9-5-15-33(39)34-16-6-10-20-40(34)49/h1-28H
InChIKeyBHLRJEJMBQLHIF-UHFFFAOYSA-N
XLogP11.90
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-carbazol-9-ylphenyl)-2-(3,6-diphenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177271581
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
9-[2-(3-dibenzofuran-1-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166037435
3-dibenzofuran-1-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-1-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-1-yl-9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165084980
8-(2-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 157260018
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
3-dibenzofuran-2-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164970809
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542552
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 165007385
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408

Frequently Asked Questions

What is the IUPAC name of 8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 177271430) is 8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ncc3oc4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4c3n2)cc1.
What is the InChIKey of 8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is BHLRJEJMBQLHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-2-12-29(13-3-1)30-22-24-42-36(26-30)35-17-7-11-21-41(35)50(42)46-47-28-44-45(48-46)37-27-31(23-25-43(37)51-44)32-14-4-8-18-38(32)49-39-19-9-5-15-33(39)34-16-6-10-20-40(34)49/h1-28H.
What are the key properties of 8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine?
8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 652.76 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 177271430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).