2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline

C58H37N5O — CID 139303970

IUPAC2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline
SMILESNc1cc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c21
InChIInChI=1S/C58H37N5O/c59-47-33-40(58-60-48(37-16-5-2-6-17-37)35-49(61-58)39-19-13-18-38(32-39)36-14-3-1-4-15-36)26-29-52(47)63-50-23-10-7-20-42(50)44-28-30-53-56(57(44)63)45-22-8-11-24-51(45)62(53)41-27-31-55-46(34-41)43-21-9-12-25-54(43)64-55/h1-35H,59H2
InChIKeySLFQMXINZSDFBQ-UHFFFAOYSA-N
MW819.97 g/mol
LogP14.82
Rot. Bonds6

About 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline

2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline (PubChem CID 139303970) has the molecular formula C58H37N5O and a molecular weight of 819.97 g/mol. Its IUPAC name is 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline.

Molecular Properties

Compound Name2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline
PubChem CID139303970
Molecular FormulaC58H37N5O
Molecular Weight819.97 g/mol
Exact Mass819.30
IUPAC Name2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline
SMILESNc1cc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c21
InChIInChI=1S/C58H37N5O/c59-47-33-40(58-60-48(37-16-5-2-6-17-37)35-49(61-58)39-19-13-18-38(32-39)36-14-3-1-4-15-36)26-29-52(47)63-50-23-10-7-20-42(50)44-28-30-53-56(57(44)63)45-22-8-11-24-51(45)62(53)41-27-31-55-46(34-41)43-21-9-12-25-54(43)64-55/h1-35H,59H2
InChIKeySLFQMXINZSDFBQ-UHFFFAOYSA-N
XLogP14.82
TPSA74.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.97
LogP ≤ 514.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 90085731
12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
2-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139555285
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556117
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245
9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole
CID 166952321
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
12-dibenzofuran-2-yl-5-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 121385487
12-naphthalen-1-yl-5-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 158650044
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline?
The IUPAC name of 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline (CID 139303970) is 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline.
What is the SMILES notation for 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline?
The canonical SMILES for 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline is Nc1cc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc4oc5ccccc5c4c3)c21.
What is the InChIKey of 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline?
The InChIKey is SLFQMXINZSDFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5O/c59-47-33-40(58-60-48(37-16-5-2-6-17-37)35-49(61-58)39-19-13-18-38(32-39)36-14-3-1-4-15-36)26-29-52(47)63-50-23-10-7-20-42(50)44-28-30-53-56(57(44)63)45-22-8-11-24-51(45)62(53)41-27-31-55-46(34-41)43-21-9-12-25-54(43)64-55/h1-35H,59H2.
What are the key properties of 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline?
2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline has a molecular weight of 819.97 g/mol, XLogP of 14.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzofuran-2-ylindolo[3,2-c]carbazol-12-yl)-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]aniline is sourced from PubChem (CID 139303970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).