2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine

C84H57N3 — CID 154965860

About 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine

2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine (PubChem CID 154965860) has the molecular formula C84H57N3 and a molecular weight of 1108.40 g/mol. Its IUPAC name is 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
• PubChem CID: 154965860
• Molecular Formula: C84H57N3
• Molecular Weight: 1108.40 g/mol
• Exact Mass: 1107.46
• IUPAC Name: 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
• SMILES: c1ccc(N(c2ccccc2)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc3c2c2ccccc2n3-c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C84H57N3/c1-7-29-60(30-8-1)83(61-31-9-2-10-32-61)75-44-24-21-41-70(75)72-51-49-67(54-77(72)83)85(68-50-52-73-71-42-22-25-45-76(71)84(78(73)55-68,62-33-11-3-12-34-62)63-35-13-4-14-36-63)69-56-80(86(64-37-15-5-16-38-64)65-39-17-6-18-40-65)82-74-43-23-26-46-79(74)87(81(82)57-69)66-48-47-58-27-19-20-28-59(58)53-66/h1-57H
• InChIKey: UJHKQCORVHHEEE-UHFFFAOYSA-N
• XLogP: 21.60
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.40
LogP ≤ 5	21.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine?

The IUPAC name of 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine (CID 154965860) is 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine.

What is the SMILES notation for 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine?

The canonical SMILES for 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc3c2c2ccccc2n3-c2ccc3ccccc3c2)cc1.

What is the InChIKey of 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine?

The InChIKey is UJHKQCORVHHEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H57N3/c1-7-29-60(30-8-1)83(61-31-9-2-10-32-61)75-44-24-21-41-70(75)72-51-49-67(54-77(72)83)85(68-50-52-73-71-42-22-25-45-76(71)84(78(73)55-68,62-33-11-3-12-34-62)63-35-13-4-14-36-63)69-56-80(86(64-37-15-5-16-38-64)65-39-17-6-18-40-65)82-74-43-23-26-46-79(74)87(81(82)57-69)66-48-47-58-27-19-20-28-59(58)53-66/h1-57H.

What are the key properties of 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine?

2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine has a molecular weight of 1108.40 g/mol, XLogP of 21.60, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine is sourced from PubChem (CID 154965860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).