9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole

C44H28N2OS — CID 71127190

IUPAC9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)s5)o4)c32)cc1
InChIInChI=1S/C44H28N2OS/c1-3-13-29(14-4-1)45-37-23-9-7-17-31(37)33-19-11-21-35(43(33)45)39-25-26-40(47-39)42-28-27-41(48-42)36-22-12-20-34-32-18-8-10-24-38(32)46(44(34)36)30-15-5-2-6-16-30/h1-28H
InChIKeyGFIMRJPGNZBXOT-UHFFFAOYSA-N
MW632.79 g/mol
LogP12.54
Rot. Bonds5

About 9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole

9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole (PubChem CID 71127190) has the molecular formula C44H28N2OS and a molecular weight of 632.79 g/mol. Its IUPAC name is 9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole
PubChem CID71127190
Molecular FormulaC44H28N2OS
Molecular Weight632.79 g/mol
Exact Mass632.19
IUPAC Name9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)s5)o4)c32)cc1
InChIInChI=1S/C44H28N2OS/c1-3-13-29(14-4-1)45-37-23-9-7-17-31(37)33-19-11-21-35(43(33)45)39-25-26-40(47-39)42-28-27-41(48-42)36-22-12-20-34-32-18-8-10-24-38(32)46(44(34)36)30-15-5-2-6-16-30/h1-28H
InChIKeyGFIMRJPGNZBXOT-UHFFFAOYSA-N
XLogP12.54
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.79
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole?
The IUPAC name of 9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole (CID 71127190) is 9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole?
The canonical SMILES for 9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole is c1ccc(-n2c3ccccc3c3cccc(-c4ccc(-c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)s5)o4)c32)cc1.
What is the InChIKey of 9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole?
The InChIKey is GFIMRJPGNZBXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2OS/c1-3-13-29(14-4-1)45-37-23-9-7-17-31(37)33-19-11-21-35(43(33)45)39-25-26-40(47-39)42-28-27-41(48-42)36-22-12-20-34-32-18-8-10-24-38(32)46(44(34)36)30-15-5-2-6-16-30/h1-28H.
What are the key properties of 9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole?
9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole has a molecular weight of 632.79 g/mol, XLogP of 12.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole is sourced from PubChem (CID 71127190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).