N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine

C121H84N2 — CID 158527440

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine (PubChem CID 158527440) has the molecular formula C121H84N2 and a molecular weight of 1566.02 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine
• PubChem CID: 158527440
• Molecular Formula: C121H84N2
• Molecular Weight: 1566.02 g/mol
• Exact Mass: 1564.66
• IUPAC Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4c4c(-c6ccccc6)cc(-c6ccccc6)c(-c6ccccc6)c54)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5cccc(-c6cccc7ccccc67)c5)ccc4c3c2-c2ccccc2)cc1
• InChI: InChI=1S/C63H45N.C58H39N/c1-63(2)58-30-18-17-28-51(58)52-37-33-46(39-59(52)63)42-31-34-48(35-32-42)64(47-25-13-6-14-26-47)49-36-38-54-57(40-49)50-27-15-16-29-53(50)61-56(44-21-9-4-10-22-44)41-55(43-19-7-3-8-20-43)60(62(54)61)45-23-11-5-12-24-45;1-5-19-41(20-6-1)53-39-54(42-21-7-2-8-22-42)57-51-33-16-15-32-50(51)55-38-47(35-36-52(55)58(57)56(53)43-24-9-3-10-25-43)59(45-28-11-4-12-29-45)46-30-17-27-44(37-46)49-34-18-26-40-23-13-14-31-48(40)49/h3-41H,1-2H3;1-39H
• InChIKey: HMYMEPMMZLKHIE-UHFFFAOYSA-N
• XLogP: 34.03
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1566.02
LogP ≤ 5	34.03
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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine?

The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine (CID 158527440) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine.

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine?

The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4c4c(-c6ccccc6)cc(-c6ccccc6)c(-c6ccccc6)c54)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5cccc(-c6cccc7ccccc67)c5)ccc4c3c2-c2ccccc2)cc1.

What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine?

The InChIKey is HMYMEPMMZLKHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N.C58H39N/c1-63(2)58-30-18-17-28-51(58)52-37-33-46(39-59(52)63)42-31-34-48(35-32-42)64(47-25-13-6-14-26-47)49-36-38-54-57(40-49)50-27-15-16-29-53(50)61-56(44-21-9-4-10-22-44)41-55(43-19-7-3-8-20-43)60(62(54)61)45-23-11-5-12-24-45;1-5-19-41(20-6-1)53-39-54(42-21-7-2-8-22-42)57-51-33-16-15-32-50(51)55-38-47(35-36-52(55)58(57)56(53)43-24-9-3-10-25-43)59(45-28-11-4-12-29-45)46-30-17-27-44(37-46)49-34-18-26-40-23-13-14-31-48(40)49/h3-41H,1-2H3;1-39H.

What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine?

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine has a molecular weight of 1566.02 g/mol, XLogP of 34.03, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine is sourced from PubChem (CID 158527440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).