4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole

C33H22N2S2 — CID 4058232

IUPAC4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
SMILESc1ccc2c(c1)Cc1cc(-c3csc(Cc4nc(-c5ccc6c(c5)Cc5ccccc5-6)cs4)n3)ccc1-2
InChIInChI=1S/C33H22N2S2/c1-3-7-26-20(5-1)13-24-15-22(9-11-28(24)26)30-18-36-32(34-30)17-33-35-31(19-37-33)23-10-12-29-25(16-23)14-21-6-2-4-8-27(21)29/h1-12,15-16,18-19H,13-14,17H2
InChIKeyBIRXBVRBBYSSAI-UHFFFAOYSA-N
MW510.69 g/mol
LogP8.67
Rot. Bonds4

About 4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole

4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole (PubChem CID 4058232) has the molecular formula C33H22N2S2 and a molecular weight of 510.69 g/mol. Its IUPAC name is 4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
PubChem CID4058232
Molecular FormulaC33H22N2S2
Molecular Weight510.69 g/mol
Exact Mass510.12
IUPAC Name4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
SMILESc1ccc2c(c1)Cc1cc(-c3csc(Cc4nc(-c5ccc6c(c5)Cc5ccccc5-6)cs4)n3)ccc1-2
InChIInChI=1S/C33H22N2S2/c1-3-7-26-20(5-1)13-24-15-22(9-11-28(24)26)30-18-36-32(34-30)17-33-35-31(19-37-33)23-10-12-29-25(16-23)14-21-6-2-4-8-27(21)29/h1-12,15-16,18-19H,13-14,17H2
InChIKeyBIRXBVRBBYSSAI-UHFFFAOYSA-N
XLogP8.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.69
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole (CID 4058232) is 4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole is c1ccc2c(c1)Cc1cc(-c3csc(Cc4nc(-c5ccc6c(c5)Cc5ccccc5-6)cs4)n3)ccc1-2.
What is the InChIKey of 4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
The InChIKey is BIRXBVRBBYSSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2S2/c1-3-7-26-20(5-1)13-24-15-22(9-11-28(24)26)30-18-36-32(34-30)17-33-35-31(19-37-33)23-10-12-29-25(16-23)14-21-6-2-4-8-27(21)29/h1-12,15-16,18-19H,13-14,17H2.
What are the key properties of 4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole?
4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole has a molecular weight of 510.69 g/mol, XLogP of 8.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-2-yl)-2-[[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 4058232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).