2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

C73H50N2 — CID 118265716

About 2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 118265716) has the molecular formula C73H50N2 and a molecular weight of 955.22 g/mol. Its IUPAC name is 2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 118265716
• Molecular Formula: C73H50N2
• Molecular Weight: 955.22 g/mol
• Exact Mass: 954.40
• IUPAC Name: 2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)-c7ccccc7C8(c7ccccc7)c7ccccc7)c6c5)cc4)cc3)c2)cc1
• InChI: InChI=1S/C73H50N2/c1-5-20-51(21-6-1)55-22-19-23-56(48-55)53-40-43-61(44-41-53)74(60-28-11-4-12-29-60)70-34-17-14-30-63(70)54-38-36-52(37-39-54)57-42-46-66-65-32-15-18-35-71(65)75(72(66)49-57)62-45-47-69-67(50-62)64-31-13-16-33-68(64)73(69,58-24-7-2-8-25-58)59-26-9-3-10-27-59/h1-50H
• InChIKey: AOLIMDSNXRRTPI-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.22
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 118265716) is 2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.

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

The canonical SMILES for 2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)-c7ccccc7C8(c7ccccc7)c7ccccc7)c6c5)cc4)cc3)c2)cc1.

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

The InChIKey is AOLIMDSNXRRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2/c1-5-20-51(21-6-1)55-22-19-23-56(48-55)53-40-43-61(44-41-53)74(60-28-11-4-12-29-60)70-34-17-14-30-63(70)54-38-36-52(37-39-54)57-42-46-66-65-32-15-18-35-71(65)75(72(66)49-57)62-45-47-69-67(50-62)64-31-13-16-33-68(64)73(69,58-24-7-2-8-25-58)59-26-9-3-10-27-59/h1-50H.

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

2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 955.22 g/mol, XLogP of 19.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 118265716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).