N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline

C76H51N3 — CID 118901515

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 118901515) has the molecular formula C76H51N3 and a molecular weight of 1006.26 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
• PubChem CID: 118901515
• Molecular Formula: C76H51N3
• Molecular Weight: 1006.26 g/mol
• Exact Mass: 1005.41
• IUPAC Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc(N(c6ccc(-c7cccc(-c8cccc9ccccc89)c7)cc6)c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6)cc5)c4)cc32)cc1
• InChI: InChI=1S/C76H51N3/c1-2-23-62(24-3-1)78-73-31-9-8-29-71(73)72-47-40-60(51-76(72)78)58-20-12-18-56(48-58)52-34-41-63(42-35-52)77(64-43-36-53(37-44-64)57-19-13-22-61(49-57)68-30-15-17-55-16-4-5-26-67(55)68)65-45-38-54(39-46-65)59-21-14-25-66(50-59)79-74-32-10-6-27-69(74)70-28-7-11-33-75(70)79/h1-51H
• InChIKey: YUTTXFHDZZIFED-UHFFFAOYSA-N
• XLogP: 20.84
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.26
LogP ≤ 5	20.84
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]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline?

The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 118901515) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline.

What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline?

The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc(N(c6ccc(-c7cccc(-c8cccc9ccccc89)c7)cc6)c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6)cc5)c4)cc32)cc1.

What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline?

The InChIKey is YUTTXFHDZZIFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H51N3/c1-2-23-62(24-3-1)78-73-31-9-8-29-71(73)72-47-40-60(51-76(72)78)58-20-12-18-56(48-58)52-34-41-63(42-35-52)77(64-43-36-53(37-44-64)57-19-13-22-61(49-57)68-30-15-17-55-16-4-5-26-67(55)68)65-45-38-54(39-46-65)59-21-14-25-66(50-59)79-74-32-10-6-27-69(74)70-28-7-11-33-75(70)79/h1-51H.

What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline?

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 1006.26 g/mol, XLogP of 20.84, 10 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]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 118901515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).