6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole

C48H29NO2 — CID 146368988

IUPAC6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5c6ccccc6oc5c43)cc2)cc1
InChIInChI=1S/C48H29NO2/c1-2-11-30(12-3-1)31-25-27-34(28-26-31)49-42-18-7-4-13-36(42)41-29-40(45-39-15-6-9-20-44(39)51-48(45)46(41)49)33-23-21-32(22-24-33)35-16-10-17-38-37-14-5-8-19-43(37)50-47(35)38/h1-29H
InChIKeyWHPNNOWRVTWTOD-UHFFFAOYSA-N
MW651.77 g/mol
LogP13.58
Rot. Bonds4

About 6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole

6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 146368988) has the molecular formula C48H29NO2 and a molecular weight of 651.77 g/mol. Its IUPAC name is 6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
PubChem CID146368988
Molecular FormulaC48H29NO2
Molecular Weight651.77 g/mol
Exact Mass651.22
IUPAC Name6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5c6ccccc6oc5c43)cc2)cc1
InChIInChI=1S/C48H29NO2/c1-2-11-30(12-3-1)31-25-27-34(28-26-31)49-42-18-7-4-13-36(42)41-29-40(45-39-15-6-9-20-44(39)51-48(45)46(41)49)33-23-21-32(22-24-33)35-16-10-17-38-37-14-5-8-19-43(37)50-47(35)38/h1-29H
InChIKeyWHPNNOWRVTWTOD-UHFFFAOYSA-N
XLogP13.58
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580159
3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118488562
9-(4-dibenzofuran-4-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580156
N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
CID 134275427
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole
CID 172524299
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole (CID 146368988) is 6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5c6ccccc6oc5c43)cc2)cc1.
What is the InChIKey of 6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is WHPNNOWRVTWTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2/c1-2-11-30(12-3-1)31-25-27-34(28-26-31)49-42-18-7-4-13-36(42)41-29-40(45-39-15-6-9-20-44(39)51-48(45)46(41)49)33-23-21-32(22-24-33)35-16-10-17-38-37-14-5-8-19-43(37)50-47(35)38/h1-29H.
What are the key properties of 6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 651.77 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 146368988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).