4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline

C68H46N2S2 — CID 58281727

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline (PubChem CID 58281727) has the molecular formula C68H46N2S2 and a molecular weight of 955.26 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
• PubChem CID: 58281727
• Molecular Formula: C68H46N2S2
• Molecular Weight: 955.26 g/mol
• Exact Mass: 954.31
• IUPAC Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)s6)ccc4n5-c4cccc(-c5ccc(-c6ccccc6)s5)c4)cc3)cc2)cc1
• InChI: InChI=1S/C68H46N2S2/c1-5-14-47(15-6-1)49-24-32-57(33-25-49)69(58-34-26-50(27-35-58)48-16-7-2-8-17-48)59-36-28-51(29-37-59)54-30-38-63-61(45-54)62-46-56(68-43-41-66(72-68)53-20-11-4-12-21-53)31-39-64(62)70(63)60-23-13-22-55(44-60)67-42-40-65(71-67)52-18-9-3-10-19-52/h1-46H
• InChIKey: ZHDSALRYWAIJJT-UHFFFAOYSA-N
• XLogP: 20.05
• TPSA: 8.17 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.26
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline?

The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline (CID 58281727) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline.

What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline?

The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)s6)ccc4n5-c4cccc(-c5ccc(-c6ccccc6)s5)c4)cc3)cc2)cc1.

What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline?

The InChIKey is ZHDSALRYWAIJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2S2/c1-5-14-47(15-6-1)49-24-32-57(33-25-49)69(58-34-26-50(27-35-58)48-16-7-2-8-17-48)59-36-28-51(29-37-59)54-30-38-63-61(45-54)62-46-56(68-43-41-66(72-68)53-20-11-4-12-21-53)31-39-64(62)70(63)60-23-13-22-55(44-60)67-42-40-65(71-67)52-18-9-3-10-19-52/h1-46H.

What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline?

4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline has a molecular weight of 955.26 g/mol, XLogP of 20.05, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 58281727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).