N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine

C71H45N3 — CID 144888353

About N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine

N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 144888353) has the molecular formula C71H45N3 and a molecular weight of 940.16 g/mol. Its IUPAC name is N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 144888353
• Molecular Formula: C71H45N3
• Molecular Weight: 940.16 g/mol
• Exact Mass: 939.36
• IUPAC Name: N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
• SMILES: c1ccc(-n2c3ccccc3c3cccc(-c4cc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc6ccccc56)cc(-n5c6ccccc6c6ccccc65)c4)c32)cc1
• InChI: InChI=1S/C71H45N3/c1-2-22-48(23-3-1)74-69-38-17-11-30-60(69)61-32-19-31-53(70(61)74)47-42-50(44-51(43-47)73-67-36-15-9-28-58(67)59-29-10-16-37-68(59)73)72(66-39-18-21-46-20-4-5-24-52(46)66)49-40-41-57-56-27-8-14-35-64(56)71(65(57)45-49)62-33-12-6-25-54(62)55-26-7-13-34-63(55)71/h1-45H
• InChIKey: XIVLMASCWZSYJM-UHFFFAOYSA-N
• XLogP: 18.51
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.16
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine (CID 144888353) is N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine is c1ccc(-n2c3ccccc3c3cccc(-c4cc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc6ccccc56)cc(-n5c6ccccc6c6ccccc65)c4)c32)cc1.

What is the InChIKey of N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is XIVLMASCWZSYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H45N3/c1-2-22-48(23-3-1)74-69-38-17-11-30-60(69)61-32-19-31-53(70(61)74)47-42-50(44-51(43-47)73-67-36-15-9-28-58(67)59-29-10-16-37-68(59)73)72(66-39-18-21-46-20-4-5-24-52(46)66)49-40-41-57-56-27-8-14-35-64(56)71(65(57)45-49)62-33-12-6-25-54(62)55-26-7-13-34-63(55)71/h1-45H.

What are the key properties of N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine?

N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 940.16 g/mol, XLogP of 18.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 144888353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).