6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole

C38H27N3Se — CID 59691042

IUPAC6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc4[se]ccn34)cc21
InChIInChI=1S/C38H27N3Se/c1-38(2)31-12-6-3-9-27(31)28-20-17-25(23-32(28)38)36-35(39-37-40(36)21-22-42-37)24-15-18-26(19-16-24)41-33-13-7-4-10-29(33)30-11-5-8-14-34(30)41/h3-23H,1-2H3
InChIKeyYANYNXJXVDBCSQ-UHFFFAOYSA-N
MW604.62 g/mol
LogP9.13
Rot. Bonds3

About 6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole

6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole (PubChem CID 59691042) has the molecular formula C38H27N3Se and a molecular weight of 604.62 g/mol. Its IUPAC name is 6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole.

Molecular Properties

Compound Name6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole
PubChem CID59691042
Molecular FormulaC38H27N3Se
Molecular Weight604.62 g/mol
Exact Mass605.14
IUPAC Name6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc4[se]ccn34)cc21
InChIInChI=1S/C38H27N3Se/c1-38(2)31-12-6-3-9-27(31)28-20-17-25(23-32(28)38)36-35(39-37-40(36)21-22-42-37)24-15-18-26(19-16-24)41-33-13-7-4-10-29(33)30-11-5-8-14-34(30)41/h3-23H,1-2H3
InChIKeyYANYNXJXVDBCSQ-UHFFFAOYSA-N
XLogP9.13
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.62
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole?
The IUPAC name of 6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole (CID 59691042) is 6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole.
What is the SMILES notation for 6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole?
The canonical SMILES for 6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole is CC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc4[se]ccn34)cc21.
What is the InChIKey of 6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole?
The InChIKey is YANYNXJXVDBCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3Se/c1-38(2)31-12-6-3-9-27(31)28-20-17-25(23-32(28)38)36-35(39-37-40(36)21-22-42-37)24-15-18-26(19-16-24)41-33-13-7-4-10-29(33)30-11-5-8-14-34(30)41/h3-23H,1-2H3.
What are the key properties of 6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole?
6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole has a molecular weight of 604.62 g/mol, XLogP of 9.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]selenazole is sourced from PubChem (CID 59691042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).