5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole

C40H26N4 — CID 155139599

IUPAC5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ncc(-c4ccccc4)cn3)cc2)cc1
InChIInChI=1S/C40H26N4/c1-3-11-27(12-4-1)29-19-21-31(22-20-29)43-36-17-9-7-15-32(36)34-24-39-35(23-38(34)43)33-16-8-10-18-37(33)44(39)40-41-25-30(26-42-40)28-13-5-2-6-14-28/h1-26H
InChIKeyFLIQGWCZKDETEG-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole

5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole (PubChem CID 155139599) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
PubChem CID155139599
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ncc(-c4ccccc4)cn3)cc2)cc1
InChIInChI=1S/C40H26N4/c1-3-11-27(12-4-1)29-19-21-31(22-20-29)43-36-17-9-7-15-32(36)34-24-39-35(23-38(34)43)33-16-8-10-18-37(33)44(39)40-41-25-30(26-42-40)28-13-5-2-6-14-28/h1-26H
InChIKeyFLIQGWCZKDETEG-UHFFFAOYSA-N
XLogP10.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole
CID 164788234
3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086331
3-[9-(4-phenoxyphenyl)carbazol-3-yl]-9-[5-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086423
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
7-(4-dibenzofuran-1-ylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole
CID 155139462
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
9-[5-[3,5-bis(2-carbazol-9-ylpyrimidin-5-yl)phenyl]pyrimidin-2-yl]carbazole
CID 58827948
3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158454964
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 147253407
ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
CID 123300627

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole?
The IUPAC name of 5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole (CID 155139599) is 5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole?
The canonical SMILES for 5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ncc(-c4ccccc4)cn3)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole?
The InChIKey is FLIQGWCZKDETEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-11-27(12-4-1)29-19-21-31(22-20-29)43-36-17-9-7-15-32(36)34-24-39-35(23-38(34)43)33-16-8-10-18-37(33)44(39)40-41-25-30(26-42-40)28-13-5-2-6-14-28/h1-26H.
What are the key properties of 5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole?
5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole has a molecular weight of 562.68 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 155139599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).