6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine

C54H31N3O2 — CID 174312077

IUPAC6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)oc2ccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccc7ccccc7c6c45)cc23)cc1
InChIInChI=1S/C54H31N3O2/c1-3-14-33(15-4-1)51-50-42-30-37(24-27-46(42)59-54(50)56-53(55-51)34-16-5-2-6-17-34)39-25-26-44(52-49(39)48-38-20-10-9-13-32(38)23-28-47(48)58-52)57-43-22-12-11-21-40(43)41-29-35-18-7-8-19-36(35)31-45(41)57/h1-31H
InChIKeyLGLUGBJYJHJJKM-UHFFFAOYSA-N
MW753.86 g/mol
LogP14.68
Rot. Bonds4

About 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine

6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 174312077) has the molecular formula C54H31N3O2 and a molecular weight of 753.86 g/mol. Its IUPAC name is 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID174312077
Molecular FormulaC54H31N3O2
Molecular Weight753.86 g/mol
Exact Mass753.24
IUPAC Name6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)oc2ccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccc7ccccc7c6c45)cc23)cc1
InChIInChI=1S/C54H31N3O2/c1-3-14-33(15-4-1)51-50-42-30-37(24-27-46(42)59-54(50)56-53(55-51)34-16-5-2-6-17-34)39-25-26-44(52-49(39)48-38-20-10-9-13-32(38)23-28-47(48)58-52)57-43-22-12-11-21-40(43)41-29-35-18-7-8-19-36(35)31-45(41)57/h1-31H
InChIKeyLGLUGBJYJHJJKM-UHFFFAOYSA-N
XLogP14.68
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.86
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine with MolForge

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Related Compounds

4-(4-benzo[b]carbazol-5-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174311943
4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 174311955
5-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714933
5-[1-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164714899
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155474965
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
5-[10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167424160
9-[1-dibenzofuran-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166496108
bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 158683970
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 167032741
9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
CID 166495841

Frequently Asked Questions

What is the IUPAC name of 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine (CID 174312077) is 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)c3c(n2)oc2ccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccc7ccccc7c6c45)cc23)cc1.
What is the InChIKey of 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is LGLUGBJYJHJJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N3O2/c1-3-14-33(15-4-1)51-50-42-30-37(24-27-46(42)59-54(50)56-53(55-51)34-16-5-2-6-17-34)39-25-26-44(52-49(39)48-38-20-10-9-13-32(38)23-28-47(48)58-52)57-43-22-12-11-21-40(43)41-29-35-18-7-8-19-36(35)31-45(41)57/h1-31H.
What are the key properties of 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine?
6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 753.86 g/mol, XLogP of 14.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 174312077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).