11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole

C168H109N9O — CID 161096514

IUPAC11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc(-c6cccc7c6oc6ccccc67)ccc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C42H27N3.C42H26N2O.2C42H28N2/c1-3-13-28(14-4-1)43-39-22-12-9-19-33(39)35-26-36-34-25-30(45-37-20-10-7-17-31(37)32-18-8-11-21-38(32)45)23-24-40(34)44(42(36)27-41(35)43)29-15-5-2-6-16-29;1-3-12-28(13-4-1)43-37-20-9-7-16-31(37)35-25-36-34-24-27(30-18-11-19-33-32-17-8-10-21-41(32)45-42(30)33)22-23-38(34)44(40(36)26-39(35)43)29-14-5-2-6-15-29;1-3-12-29(13-4-1)31-22-24-33(25-23-31)43-39-20-9-7-18-35(39)37-26-27-38-36-19-8-10-21-40(36)44(42(38)41(37)43)34-17-11-16-32(28-34)30-14-5-2-6-15-30;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-39-17-9-7-15-35(39)37-27-28-38-36-16-8-10-18-40(36)44(42(38)41(37)43)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h1-27H;1-26H;2*1-28H
InChIKeyUHWFFRBCWUJSEX-UHFFFAOYSA-N
MW2269.78 g/mol
LogP44.85
Rot. Bonds14

About 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole

11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 161096514) has the molecular formula C168H109N9O and a molecular weight of 2269.78 g/mol. Its IUPAC name is 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID161096514
Molecular FormulaC168H109N9O
Molecular Weight2269.78 g/mol
Exact Mass2267.88
IUPAC Name11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc(-c6cccc7c6oc6ccccc67)ccc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C42H27N3.C42H26N2O.2C42H28N2/c1-3-13-28(14-4-1)43-39-22-12-9-19-33(39)35-26-36-34-25-30(45-37-20-10-7-17-31(37)32-18-8-11-21-38(32)45)23-24-40(34)44(42(36)27-41(35)43)29-15-5-2-6-16-29;1-3-12-28(13-4-1)43-37-20-9-7-16-31(37)35-25-36-34-24-27(30-18-11-19-33-32-17-8-10-21-41(32)45-42(30)33)22-23-38(34)44(40(36)26-39(35)43)29-14-5-2-6-15-29;1-3-12-29(13-4-1)31-22-24-33(25-23-31)43-39-20-9-7-18-35(39)37-26-27-38-36-19-8-10-21-40(36)44(42(38)41(37)43)34-17-11-16-32(28-34)30-14-5-2-6-15-30;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-39-17-9-7-15-35(39)37-27-28-38-36-16-8-10-18-40(36)44(42(38)41(37)43)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h1-27H;1-26H;2*1-28H
InChIKeyUHWFFRBCWUJSEX-UHFFFAOYSA-N
XLogP44.85
TPSA57.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms178
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002269.78
LogP ≤ 544.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole (CID 161096514) is 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc(-c6cccc7c6oc6ccccc67)ccc5n(-c5ccccc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc(-n6c7ccccc7c7ccccc76)ccc5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is UHWFFRBCWUJSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3.C42H26N2O.2C42H28N2/c1-3-13-28(14-4-1)43-39-22-12-9-19-33(39)35-26-36-34-25-30(45-37-20-10-7-17-31(37)32-18-8-11-21-38(32)45)23-24-40(34)44(42(36)27-41(35)43)29-15-5-2-6-16-29;1-3-12-28(13-4-1)43-37-20-9-7-16-31(37)35-25-36-34-24-27(30-18-11-19-33-32-17-8-10-21-41(32)45-42(30)33)22-23-38(34)44(40(36)26-39(35)43)29-14-5-2-6-15-29;1-3-12-29(13-4-1)31-22-24-33(25-23-31)43-39-20-9-7-18-35(39)37-26-27-38-36-19-8-10-21-40(36)44(42(38)41(37)43)34-17-11-16-32(28-34)30-14-5-2-6-15-30;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-39-17-9-7-15-35(39)37-27-28-38-36-16-8-10-18-40(36)44(42(38)41(37)43)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h1-27H;1-26H;2*1-28H.
What are the key properties of 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 2269.78 g/mol, XLogP of 44.85, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 161096514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).