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

C73H50N2 — CID 118265653

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

N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline (PubChem CID 118265653) has the molecular formula C73H50N2 and a molecular weight of 955.22 g/mol. Its IUPAC name is N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline.

Molecular Properties

• Compound Name: N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
• PubChem CID: 118265653
• Molecular Formula: C73H50N2
• Molecular Weight: 955.22 g/mol
• Exact Mass: 954.40
• IUPAC Name: N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c6ccccc6n(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)cc3)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C73H50N2/c1-6-23-52(24-7-1)60-48-46-59(50-65(60)53-25-8-2-9-26-53)74(58-31-14-5-15-32-58)68-38-20-17-33-61(68)54-43-41-51(42-44-54)55-45-47-63-62-34-18-21-39-69(62)75(71(63)49-55)70-40-22-37-67-72(70)64-35-16-19-36-66(64)73(67,56-27-10-3-11-28-56)57-29-12-4-13-30-57/h1-50H
• InChIKey: DQHRFMYYSLBKPL-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 N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline?

The IUPAC name of N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline (CID 118265653) is N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline.

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

The canonical SMILES for N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c6ccccc6n(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)cc3)cc2-c2ccccc2)cc1.

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

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

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

N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline 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 N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline is sourced from PubChem (CID 118265653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).