5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole

C46H27N3O — CID 164707859

IUPAC5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)nc3ccccc23)cc1
InChIInChI=1S/C46H27N3O/c1-2-13-28(14-3-1)43-34-20-8-10-22-38(34)47-46(48-43)37-26-31-17-6-7-18-32(31)42-35-21-12-24-40(44(35)50-45(37)42)49-39-23-11-9-19-33(39)36-25-29-15-4-5-16-30(29)27-41(36)49/h1-27H
InChIKeyOJSFBRSGRZYKLE-UHFFFAOYSA-N
MW637.74 g/mol
LogP12.27
Rot. Bonds3

About 5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole

5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole (PubChem CID 164707859) has the molecular formula C46H27N3O and a molecular weight of 637.74 g/mol. Its IUPAC name is 5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
PubChem CID164707859
Molecular FormulaC46H27N3O
Molecular Weight637.74 g/mol
Exact Mass637.22
IUPAC Name5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)nc3ccccc23)cc1
InChIInChI=1S/C46H27N3O/c1-2-13-28(14-3-1)43-34-20-8-10-22-38(34)47-46(48-43)37-26-31-17-6-7-18-32(31)42-35-21-12-24-40(44(35)50-45(37)42)49-39-23-11-9-19-33(39)36-25-29-15-4-5-16-30(29)27-41(36)49/h1-27H
InChIKeyOJSFBRSGRZYKLE-UHFFFAOYSA-N
XLogP12.27
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707562
2-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-6-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;4-phenyl-2-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)naphtho[2,1-b][1]benzofuran-6-yl]-[1]benzothiolo[3,2-d]pyrimidine;5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole;9-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 165098177
9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707544
5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole
CID 164707669
N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine
CID 146337919
5-[6-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 154968691
4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 146337804
9-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 165108667
7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole
CID 154947939
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
12-[4-(4-phenylquinazolin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 167424223
1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375469

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
The IUPAC name of 5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole (CID 164707859) is 5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3cc4ccccc4c4c3oc3c(-n5c6ccccc6c6cc7ccccc7cc65)cccc34)nc3ccccc23)cc1.
What is the InChIKey of 5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
The InChIKey is OJSFBRSGRZYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O/c1-2-13-28(14-3-1)43-34-20-8-10-22-38(34)47-46(48-43)37-26-31-17-6-7-18-32(31)42-35-21-12-24-40(44(35)50-45(37)42)49-39-23-11-9-19-33(39)36-25-29-15-4-5-16-30(29)27-41(36)49/h1-27H.
What are the key properties of 5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole has a molecular weight of 637.74 g/mol, XLogP of 12.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole is sourced from PubChem (CID 164707859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).