N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine

C59H40N2O — CID 177281213

About N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine (PubChem CID 177281213) has the molecular formula C59H40N2O and a molecular weight of 792.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine
• PubChem CID: 177281213
• Molecular Formula: C59H40N2O
• Molecular Weight: 792.98 g/mol
• Exact Mass: 792.31
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4oc5ccccc5c4c3-c3ccc4c(ccc5ccccc54)c3)cc21
• InChI: InChI=1S/C59H40N2O/c1-59(2)50-21-11-8-18-45(50)46-30-27-42(36-51(46)59)60(41-28-31-53-49(35-41)47-19-9-12-22-52(47)61(53)40-15-4-3-5-16-40)54-32-33-56-58(48-20-10-13-23-55(48)62-56)57(54)39-26-29-44-38(34-39)25-24-37-14-6-7-17-43(37)44/h3-36H,1-2H3
• InChIKey: XRRXTJGOIULWDI-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.98
LogP ≤ 5	16.43
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-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine (CID 177281213) is N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4oc5ccccc5c4c3-c3ccc4c(ccc5ccccc54)c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine?

The InChIKey is XRRXTJGOIULWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O/c1-59(2)50-21-11-8-18-45(50)46-30-27-42(36-51(46)59)60(41-28-31-53-49(35-41)47-19-9-12-22-52(47)61(53)40-15-4-3-5-16-40)54-32-33-56-58(48-20-10-13-23-55(48)62-56)57(54)39-26-29-44-38(34-39)25-24-37-14-6-7-17-43(37)44/h3-36H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine has a molecular weight of 792.98 g/mol, XLogP of 16.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 177281213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).