9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole

C68H44N2S2 — CID 177093533

About 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole

9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole (PubChem CID 177093533) has the molecular formula C68H44N2S2 and a molecular weight of 953.25 g/mol. Its IUPAC name is 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
• PubChem CID: 177093533
• Molecular Formula: C68H44N2S2
• Molecular Weight: 953.25 g/mol
• Exact Mass: 952.29
• IUPAC Name: 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc(-c%10ccccc%10)cc9)cc8)s7)s6)cc5)ccc43)cc2)cc1
• InChI: InChI=1S/C68H44N2S2/c1-3-11-45(12-4-1)47-27-33-55(34-28-47)69-61-17-9-7-15-57(61)59-43-53(31-37-63(59)69)49-19-23-51(24-20-49)65-39-41-67(71-65)68-42-40-66(72-68)52-25-21-50(22-26-52)54-32-38-64-60(44-54)58-16-8-10-18-62(58)70(64)56-35-29-48(30-36-56)46-13-5-2-6-14-46/h1-44H
• InChIKey: QNKRHEKKFXYAAE-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 9.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.25
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole?

The IUPAC name of 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole (CID 177093533) is 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole?

The canonical SMILES for 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc(-c%10ccccc%10)cc9)cc8)s7)s6)cc5)ccc43)cc2)cc1.

What is the InChIKey of 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole?

The InChIKey is QNKRHEKKFXYAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2S2/c1-3-11-45(12-4-1)47-27-33-55(34-28-47)69-61-17-9-7-15-57(61)59-43-53(31-37-63(59)69)49-19-23-51(24-20-49)65-39-41-67(71-65)68-42-40-66(72-68)52-25-21-50(22-26-52)54-32-38-64-60(44-54)58-16-8-10-18-62(58)70(64)56-35-29-48(30-36-56)46-13-5-2-6-14-46/h1-44H.

What are the key properties of 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole?

9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole has a molecular weight of 953.25 g/mol, XLogP of 19.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole is sourced from PubChem (CID 177093533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).