2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine

C73H51N3 — CID 118204417

About 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine

2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine (PubChem CID 118204417) has the molecular formula C73H51N3 and a molecular weight of 970.23 g/mol. Its IUPAC name is 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine
• PubChem CID: 118204417
• Molecular Formula: C73H51N3
• Molecular Weight: 970.23 g/mol
• Exact Mass: 969.41
• IUPAC Name: 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4c(c3)C(c3ccccc3)(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C73H51N3/c1-7-24-52(25-8-1)54-42-45-61(46-43-54)74(58-31-13-4-14-32-58)63-50-68-72(71(51-63)75(59-33-15-5-16-34-59)62-37-23-28-55(48-62)53-26-9-2-10-27-53)65-39-19-21-40-67(65)73(68,56-29-11-3-12-30-56)57-44-47-70-66(49-57)64-38-20-22-41-69(64)76(70)60-35-17-6-18-36-60/h1-51H
• InChIKey: GLOKEPRHMXXFAO-UHFFFAOYSA-N
• XLogP: 19.42
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.23
LogP ≤ 5	19.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine?

The IUPAC name of 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine (CID 118204417) is 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine.

What is the SMILES notation for 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine?

The canonical SMILES for 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4c(c3)C(c3ccccc3)(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c3ccccc3-4)cc2)cc1.

What is the InChIKey of 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine?

The InChIKey is GLOKEPRHMXXFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N3/c1-7-24-52(25-8-1)54-42-45-61(46-43-54)74(58-31-13-4-14-32-58)63-50-68-72(71(51-63)75(59-33-15-5-16-34-59)62-37-23-28-55(48-62)53-26-9-2-10-27-53)65-39-19-21-40-67(65)73(68,56-29-11-3-12-30-56)57-44-47-70-66(49-57)64-38-20-22-41-69(64)76(70)60-35-17-6-18-36-60/h1-51H.

What are the key properties of 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine?

2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine has a molecular weight of 970.23 g/mol, XLogP of 19.42, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N,9-triphenyl-9-(9-phenylcarbazol-3-yl)-4-N-(3-phenylphenyl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine is sourced from PubChem (CID 118204417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).