12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole

C48H28N2O2 — CID 170688597

IUPAC12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)oc5cccc(-c7cccc8c7oc7ccccc78)c56)c4c32)cc1
InChIInChI=1S/C48H28N2O2/c1-2-12-29(13-3-1)49-40-20-7-4-14-31(40)35-26-27-36-32-15-5-8-21-41(32)50(47(36)46(35)49)30-24-25-39-44(28-30)51-43-23-11-17-34(45(39)43)38-19-10-18-37-33-16-6-9-22-42(33)52-48(37)38/h1-28H
InChIKeyCVIDAZIMIWYIQU-UHFFFAOYSA-N
MW664.76 g/mol
LogP13.35
Rot. Bonds3

About 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole

12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 170688597) has the molecular formula C48H28N2O2 and a molecular weight of 664.76 g/mol. Its IUPAC name is 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
PubChem CID170688597
Molecular FormulaC48H28N2O2
Molecular Weight664.76 g/mol
Exact Mass664.22
IUPAC Name12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)oc5cccc(-c7cccc8c7oc7ccccc78)c56)c4c32)cc1
InChIInChI=1S/C48H28N2O2/c1-2-12-29(13-3-1)49-40-20-7-4-14-31(40)35-26-27-36-32-15-5-8-21-41(32)50(47(36)46(35)49)30-24-25-39-44(28-30)51-43-23-11-17-34(45(39)43)38-19-10-18-37-33-16-6-9-22-42(33)52-48(37)38/h1-28H
InChIKeyCVIDAZIMIWYIQU-UHFFFAOYSA-N
XLogP13.35
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.76
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
11-phenyl-12-(6-phenyldibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 122594951
12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 170277606
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11,12-diphenyl-3-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole;methane
CID 158881959
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075
1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130191498

Frequently Asked Questions

What is the IUPAC name of 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole (CID 170688597) is 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)oc5cccc(-c7cccc8c7oc7ccccc78)c56)c4c32)cc1.
What is the InChIKey of 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is CVIDAZIMIWYIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2/c1-2-12-29(13-3-1)49-40-20-7-4-14-31(40)35-26-27-36-32-15-5-8-21-41(32)50(47(36)46(35)49)30-24-25-39-44(28-30)51-43-23-11-17-34(45(39)43)38-19-10-18-37-33-16-6-9-22-42(33)52-48(37)38/h1-28H.
What are the key properties of 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole?
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 664.76 g/mol, XLogP of 13.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 170688597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).