N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

C65H48N2 — CID 170111363

About N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 170111363) has the molecular formula C65H48N2 and a molecular weight of 857.11 g/mol. Its IUPAC name is N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
• PubChem CID: 170111363
• Molecular Formula: C65H48N2
• Molecular Weight: 857.11 g/mol
• Exact Mass: 856.38
• IUPAC Name: N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)cc1
• InChI: InChI=1S/C65H48N2/c1-3-21-45(22-4-1)50-27-7-8-28-52(50)53-29-9-10-30-54(53)57-32-12-15-36-61(57)66(49-39-40-56-55-31-11-14-35-59(55)65(60(56)44-49)41-17-18-42-65)48-26-19-23-46(43-48)51-34-20-38-63-64(51)58-33-13-16-37-62(58)67(63)47-24-5-2-6-25-47/h1-16,19-40,43-44H,17-18,41-42H2
• InChIKey: FDBUSKUECVUROS-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.11
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

The IUPAC name of N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 170111363) is N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

What is the SMILES notation for N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

The canonical SMILES for N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)cc1.

What is the InChIKey of N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

The InChIKey is FDBUSKUECVUROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2/c1-3-21-45(22-4-1)50-27-7-8-28-52(50)53-29-9-10-30-54(53)57-32-12-15-36-61(57)66(49-39-40-56-55-31-11-14-35-59(55)65(60(56)44-49)41-17-18-42-65)48-26-19-23-46(43-48)51-34-20-38-63-64(51)58-33-13-16-37-62(58)67(63)47-24-5-2-6-25-47/h1-16,19-40,43-44H,17-18,41-42H2.

What are the key properties of N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 857.11 g/mol, XLogP of 17.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170111363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).