N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine

C70H44N2O — CID 89491956

About N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 89491956) has the molecular formula C70H44N2O and a molecular weight of 929.13 g/mol. Its IUPAC name is N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 89491956
• Molecular Formula: C70H44N2O
• Molecular Weight: 929.13 g/mol
• Exact Mass: 928.35
• IUPAC Name: N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C70H44N2O/c1-2-16-51(17-3-1)71(66-26-12-15-47-14-4-5-18-54(47)66)52-36-32-46(33-37-52)50-35-41-68-65(43-50)64-42-49(45-28-30-48(31-29-45)55-24-13-25-62-61-23-10-11-27-69(61)73-70(55)62)34-40-67(64)72(68)53-38-39-60-58-21-7-6-19-56(58)57-20-8-9-22-59(57)63(60)44-53/h1-44H
• InChIKey: DCCZWJVMLJZNMV-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.13
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 89491956) is N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is DCCZWJVMLJZNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O/c1-2-16-51(17-3-1)71(66-26-12-15-47-14-4-5-18-54(47)66)52-36-32-46(33-37-52)50-35-41-68-65(43-50)64-42-49(45-28-30-48(31-29-45)55-24-13-25-62-61-23-10-11-27-69(61)73-70(55)62)34-40-67(64)72(68)53-38-39-60-58-21-7-6-19-56(58)57-20-8-9-22-59(57)63(60)44-53/h1-44H.

What are the key properties of N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine?

N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 929.13 g/mol, XLogP of 19.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 89491956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).