N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine

C68H48N2 — CID 122462647

About N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine (PubChem CID 122462647) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine
• PubChem CID: 122462647
• Molecular Formula: C68H48N2
• Molecular Weight: 893.15 g/mol
• Exact Mass: 892.38
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c21
• InChI: InChI=1S/C68H48N2/c1-67(2)59-33-17-14-31-54(59)58-42-47(46-37-40-64-57(41-46)56-32-16-19-35-63(56)70(64)62-36-20-22-45-21-12-13-29-52(45)62)43-65(66(58)67)69(50-27-10-5-11-28-50)51-38-39-55-53-30-15-18-34-60(53)68(61(55)44-51,48-23-6-3-7-24-48)49-25-8-4-9-26-49/h3-44H,1-2H3
• InChIKey: VBEMVYCLPVHAPL-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.15
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine (CID 122462647) is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c21.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine?

The InChIKey is VBEMVYCLPVHAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-67(2)59-33-17-14-31-54(59)58-42-47(46-37-40-64-57(41-46)56-32-16-19-35-63(56)70(64)62-36-20-22-45-21-12-13-29-52(45)62)43-65(66(58)67)69(50-27-10-5-11-28-50)51-38-39-55-53-30-15-18-34-60(53)68(61(55)44-51,48-23-6-3-7-24-48)49-25-8-4-9-26-49/h3-44H,1-2H3.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine?

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine has a molecular weight of 893.15 g/mol, XLogP of 17.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine is sourced from PubChem (CID 122462647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).