12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole

C42H26N2O2 — CID 167029821

IUPAC12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole
SMILESC1=Cc2c(c3ccc4c(c5ccccc5n4-c4ccc5c(c4)oc4ccccc45)c3n2-c2ccc3oc4ccccc4c3c2)CC1
InChIInChI=1S/C42H26N2O2/c1-5-13-34-27(9-1)31-20-21-36-41(42(31)44(34)25-18-22-39-33(23-25)29-11-4-8-16-38(29)45-39)32-12-2-6-14-35(32)43(36)26-17-19-30-28-10-3-7-15-37(28)46-40(30)24-26/h2-8,10-24H,1,9H2
InChIKeyPERGQXKVBXZUML-UHFFFAOYSA-N
MW590.68 g/mol
LogP11.49
Rot. Bonds2

About 12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole

12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole (PubChem CID 167029821) has the molecular formula C42H26N2O2 and a molecular weight of 590.68 g/mol. Its IUPAC name is 12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole
PubChem CID167029821
Molecular FormulaC42H26N2O2
Molecular Weight590.68 g/mol
Exact Mass590.20
IUPAC Name12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole
SMILESC1=Cc2c(c3ccc4c(c5ccccc5n4-c4ccc5c(c4)oc4ccccc45)c3n2-c2ccc3oc4ccccc4c3c2)CC1
InChIInChI=1S/C42H26N2O2/c1-5-13-34-27(9-1)31-20-21-36-41(42(31)44(34)25-18-22-39-33(23-25)29-11-4-8-16-38(29)45-39)32-12-2-6-14-35(32)43(36)26-17-19-30-28-10-3-7-15-37(28)46-40(30)24-26/h2-8,10-24H,1,9H2
InChIKeyPERGQXKVBXZUML-UHFFFAOYSA-N
XLogP11.49
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.68
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
CID 166003071
5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240198
5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 167029493
12-dibenzofuran-2-yl-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167030159
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-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 167030376
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole
CID 134240137
12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
[5,12-di(dibenzofuran-2-yl)indolo[3,2-c]carbazol-9-yl]-triphenylsilane
CID 172534668

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole?
The IUPAC name of 12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole (CID 167029821) is 12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole.
What is the SMILES notation for 12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole?
The canonical SMILES for 12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole is C1=Cc2c(c3ccc4c(c5ccccc5n4-c4ccc5c(c4)oc4ccccc45)c3n2-c2ccc3oc4ccccc4c3c2)CC1.
What is the InChIKey of 12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole?
The InChIKey is PERGQXKVBXZUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O2/c1-5-13-34-27(9-1)31-20-21-36-41(42(31)44(34)25-18-22-39-33(23-25)29-11-4-8-16-38(29)45-39)32-12-2-6-14-35(32)43(36)26-17-19-30-28-10-3-7-15-37(28)46-40(30)24-26/h2-8,10-24H,1,9H2.
What are the key properties of 12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole?
12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole has a molecular weight of 590.68 g/mol, XLogP of 11.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole is sourced from PubChem (CID 167029821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).