N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine

C60H33F5N2O — CID 90194069

About N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine

N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine (PubChem CID 90194069) has the molecular formula C60H33F5N2O and a molecular weight of 892.93 g/mol. Its IUPAC name is N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine.

Molecular Properties

• Compound Name: N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine
• PubChem CID: 90194069
• Molecular Formula: C60H33F5N2O
• Molecular Weight: 892.93 g/mol
• Exact Mass: 892.25
• IUPAC Name: N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine
• SMILES: Fc1c(F)c(F)c(-c2ccc(N(c3ccc4cc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)ccc4c3)c3ccc4c(ccc5ccccc54)c3)cc2)c(F)c1F
• InChI: InChI=1S/C60H33F5N2O/c61-56-55(57(62)59(64)60(65)58(56)63)35-17-21-41(22-18-35)66(43-24-27-46-40(31-43)16-13-34-7-1-2-8-45(34)46)42-23-19-37-29-36(14-15-38(37)30-42)39-20-26-48-47-9-3-5-11-51(47)67(52(48)32-39)44-25-28-50-49-10-4-6-12-53(49)68-54(50)33-44/h1-33H
• InChIKey: GZOPMPYPLYZTCD-UHFFFAOYSA-N
• XLogP: 17.64
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.93
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine?

The IUPAC name of N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine (CID 90194069) is N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine.

What is the SMILES notation for N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine?

The canonical SMILES for N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine is Fc1c(F)c(F)c(-c2ccc(N(c3ccc4cc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)ccc4c3)c3ccc4c(ccc5ccccc54)c3)cc2)c(F)c1F.

What is the InChIKey of N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine?

The InChIKey is GZOPMPYPLYZTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H33F5N2O/c61-56-55(57(62)59(64)60(65)58(56)63)35-17-21-41(22-18-35)66(43-24-27-46-40(31-43)16-13-34-7-1-2-8-45(34)46)42-23-19-37-29-36(14-15-38(37)30-42)39-20-26-48-47-9-3-5-11-51(47)67(52(48)32-39)44-25-28-50-49-10-4-6-12-53(49)68-54(50)33-44/h1-33H.

What are the key properties of N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine?

N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine has a molecular weight of 892.93 g/mol, XLogP of 17.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 90194069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).