N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

C73H48N2S — CID 121381726

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 121381726) has the molecular formula C73H48N2S and a molecular weight of 985.27 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
• PubChem CID: 121381726
• Molecular Formula: C73H48N2S
• Molecular Weight: 985.27 g/mol
• Exact Mass: 984.35
• IUPAC Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
• SMILES: c1ccc(C2(c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C73H48N2S/c1-2-20-54(21-3-1)73(67-30-9-4-23-61(67)62-24-5-10-31-68(62)73)55-39-45-58(46-40-55)74(56-41-35-49(36-42-56)51-17-14-19-53(47-51)60-28-16-29-66-65-27-8-13-34-71(65)76-72(60)66)57-43-37-50(38-44-57)52-18-15-22-59(48-52)75-69-32-11-6-25-63(69)64-26-7-12-33-70(64)75/h1-48H
• InChIKey: CBMGOHWRRDMZOC-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 8.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.27
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?

The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (CID 121381726) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.

What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?

The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is c1ccc(C2(c3ccc(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?

The InChIKey is CBMGOHWRRDMZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N2S/c1-2-20-54(21-3-1)73(67-30-9-4-23-61(67)62-24-5-10-31-68(62)73)55-39-45-58(46-40-55)74(56-41-35-49(36-42-56)51-17-14-19-53(47-51)60-28-16-29-66-65-27-8-13-34-71(65)76-72(60)66)57-43-37-50(38-44-57)52-18-15-22-59(48-52)75-69-32-11-6-25-63(69)64-26-7-12-33-70(64)75/h1-48H.

What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?

N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 985.27 g/mol, XLogP of 19.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 121381726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).