12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole

C48H30N2O — CID 90191508

IUPAC12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)c4c32)cc1
InChIInChI=1S/C48H30N2O/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)40-29-30-41-38-14-5-8-19-44(38)50(47(41)46(40)49)35-27-25-32(26-28-35)31-21-23-33(24-22-31)36-16-10-17-42-39-15-6-9-20-45(39)51-48(36)42/h1-30H
InChIKeyIXIACMUJRFZMIZ-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole

12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 90191508) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID90191508
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)c4c32)cc1
InChIInChI=1S/C48H30N2O/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)40-29-30-41-38-14-5-8-19-44(38)50(47(41)46(40)49)35-27-25-32(26-28-35)31-21-23-33(24-22-31)36-16-10-17-42-39-15-6-9-20-45(39)51-48(36)42/h1-30H
InChIKeyIXIACMUJRFZMIZ-UHFFFAOYSA-N
XLogP13.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
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
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500
11-phenyl-12-(6-phenyldibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 122594951
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-1-methylcarbazole
CID 163908645
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
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
CID 166509837
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
14-(4-dibenzofuran-4-ylphenyl)-3-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 147149838
11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 118595440
3-(4-dibenzofuran-4-ylphenyl)-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 126580193

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole (CID 90191508) is 12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)c4c32)cc1.
What is the InChIKey of 12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is IXIACMUJRFZMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)40-29-30-41-38-14-5-8-19-44(38)50(47(41)46(40)49)35-27-25-32(26-28-35)31-21-23-33(24-22-31)36-16-10-17-42-39-15-6-9-20-45(39)51-48(36)42/h1-30H.
What are the key properties of 12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole?
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 650.78 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 90191508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).