N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine

C108H72N2 — CID 166732688

About N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine

N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine (PubChem CID 166732688) has the molecular formula C108H72N2 and a molecular weight of 1397.78 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
• PubChem CID: 166732688
• Molecular Formula: C108H72N2
• Molecular Weight: 1397.78 g/mol
• Exact Mass: 1396.57
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(ccc5cc(-c6cccc7c6ccc6cc(-c8ccc(N(c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)c9ccc%10c(ccc%11ccccc%11%10)c9)cc8)ccc67)ccc54)c3)cc21
• InChI: InChI=1S/C108H72N2/c1-107(2)103-30-15-13-26-99(103)101-60-52-87(67-105(101)107)109(83-46-38-69(39-47-83)73-42-54-92-75(62-73)34-32-71-18-9-11-24-89(71)92)85-51-59-95-80(66-85)37-36-76-64-78(44-56-93(76)95)91-28-17-29-97-96-55-43-74(63-77(96)45-57-98(91)97)70-40-48-84(49-41-70)110(86-50-58-94-79(65-86)35-33-72-19-10-12-25-90(72)94)88-53-61-102-100-27-14-16-31-104(100)108(106(102)68-88,81-20-5-3-6-21-81)82-22-7-4-8-23-82/h3-68H,1-2H3
• InChIKey: NJWHKFAOQVIHOI-UHFFFAOYSA-N
• XLogP: 29.52
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1397.78
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine (CID 166732688) is N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(ccc5cc(-c6cccc7c6ccc6cc(-c8ccc(N(c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9ccccc9-%10)c9ccc%10c(ccc%11ccccc%11%10)c9)cc8)ccc67)ccc54)c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine?

The InChIKey is NJWHKFAOQVIHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H72N2/c1-107(2)103-30-15-13-26-99(103)101-60-52-87(67-105(101)107)109(83-46-38-69(39-47-83)73-42-54-92-75(62-73)34-32-71-18-9-11-24-89(71)92)85-51-59-95-80(66-85)37-36-76-64-78(44-56-93(76)95)91-28-17-29-97-96-55-43-74(63-77(96)45-57-98(91)97)70-40-48-84(49-41-70)110(86-50-58-94-79(65-86)35-33-72-19-10-12-25-90(72)94)88-53-61-102-100-27-14-16-31-104(100)108(106(102)68-88,81-20-5-3-6-21-81)82-22-7-4-8-23-82/h3-68H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine?

N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine has a molecular weight of 1397.78 g/mol, XLogP of 29.52, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 166732688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).