2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine

C48H33N5 — CID 129264991

IUPAC2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cnc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c4ccccc34)nc21
InChIInChI=1S/C48H33N5/c1-48(2)41-14-8-7-9-35(41)40-29-51-47(53-46(40)48)45-38-12-5-3-10-36(38)44(37-11-4-6-13-39(37)45)33-17-15-31(16-18-33)42-27-34(30-19-23-49-24-20-30)28-43(52-42)32-21-25-50-26-22-32/h3-29H,1-2H3
InChIKeyZGQZWSPHTIAGHJ-UHFFFAOYSA-N
MW679.83 g/mol
LogP11.61
Rot. Bonds5

About 2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine

2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine (PubChem CID 129264991) has the molecular formula C48H33N5 and a molecular weight of 679.83 g/mol. Its IUPAC name is 2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
PubChem CID129264991
Molecular FormulaC48H33N5
Molecular Weight679.83 g/mol
Exact Mass679.27
IUPAC Name2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cnc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c4ccccc34)nc21
InChIInChI=1S/C48H33N5/c1-48(2)41-14-8-7-9-35(41)40-29-51-47(53-46(40)48)45-38-12-5-3-10-36(38)44(37-11-4-6-13-39(37)45)33-17-15-31(16-18-33)42-27-34(30-19-23-49-24-20-30)28-43(52-42)32-21-25-50-26-22-32/h3-29H,1-2H3
InChIKeyZGQZWSPHTIAGHJ-UHFFFAOYSA-N
XLogP11.61
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.83
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-diphenylindeno[2,1-d]pyrimidine;2'-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine];2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 158355693
2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264966
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264972
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264945
2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265022
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]pyridine
CID 59194825
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265024
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 169294673
2-[3-(9,9-dimethyl-4-pyridin-4-ylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 155765247
3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine
CID 164785748
4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 130465630

Frequently Asked Questions

What is the IUPAC name of 2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The IUPAC name of 2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine (CID 129264991) is 2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine.
What is the SMILES notation for 2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The canonical SMILES for 2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine is CC1(C)c2ccccc2-c2cnc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)n5)cc4)c4ccccc34)nc21.
What is the InChIKey of 2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
The InChIKey is ZGQZWSPHTIAGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5/c1-48(2)41-14-8-7-9-35(41)40-29-51-47(53-46(40)48)45-38-12-5-3-10-36(38)44(37-11-4-6-13-39(37)45)33-17-15-31(16-18-33)42-27-34(30-19-23-49-24-20-30)28-43(52-42)32-21-25-50-26-22-32/h3-29H,1-2H3.
What are the key properties of 2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine?
2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine has a molecular weight of 679.83 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine is sourced from PubChem (CID 129264991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).