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

C42H26N2O — CID 71098785

IUPAC12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C42H26N2O/c1-2-11-28(12-3-1)43-37-18-7-4-13-31(37)34-25-26-35-32-14-5-8-19-38(32)44(41(35)40(34)43)29-23-21-27(22-24-29)30-16-10-17-36-33-15-6-9-20-39(33)45-42(30)36/h1-26H
InChIKeyXJPOTQPGBHNEGZ-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.45
Rot. Bonds3

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

12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 71098785) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
PubChem CID71098785
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C42H26N2O/c1-2-11-28(12-3-1)43-37-18-7-4-13-31(37)34-25-26-35-32-14-5-8-19-38(32)44(41(35)40(34)43)29-23-21-27(22-24-29)30-16-10-17-36-33-15-6-9-20-39(33)45-42(30)36/h1-26H
InChIKeyXJPOTQPGBHNEGZ-UHFFFAOYSA-N
XLogP11.45
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-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
11-phenyl-12-(6-phenyldibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 122594951
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500
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
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-1-methylcarbazole
CID 163908645
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
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole (CID 71098785) is 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c32)cc1.
What is the InChIKey of 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is XJPOTQPGBHNEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-11-28(12-3-1)43-37-18-7-4-13-31(37)34-25-26-35-32-14-5-8-19-38(32)44(41(35)40(34)43)29-23-21-27(22-24-29)30-16-10-17-36-33-15-6-9-20-39(33)45-42(30)36/h1-26H.
What are the key properties of 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 574.68 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 71098785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).