N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine

C69H52N2 — CID 155010298

About N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine

N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine (PubChem CID 155010298) has the molecular formula C69H52N2 and a molecular weight of 909.19 g/mol. Its IUPAC name is N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine.

Molecular Properties

• Compound Name: N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine
• PubChem CID: 155010298
• Molecular Formula: C69H52N2
• Molecular Weight: 909.19 g/mol
• Exact Mass: 908.41
• IUPAC Name: N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine
• SMILES: CC1(C)c2ccccc2C2C=CC(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3-c3ccccc3N(c3ccccc3)c3ccc4c5ccccc5c5ccccc5c4c3)=CC21
• InChI: InChI=1S/C69H52N2/c1-69(2)65-34-18-15-31-60(65)61-44-42-52(46-66(61)69)71(50-39-37-48(38-40-50)47-21-5-3-6-22-47)68-36-20-17-33-63(68)57-29-13-12-28-56(57)62-32-16-19-35-67(62)70(49-23-7-4-8-24-49)51-41-43-59-55-27-10-9-25-53(55)54-26-11-14-30-58(54)64(59)45-51/h3-46,61,66H,1-2H3
• InChIKey: PHSMXYZKXKHULA-UHFFFAOYSA-N
• XLogP: 18.90
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.19
LogP ≤ 5	18.90
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-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine?

The IUPAC name of N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine (CID 155010298) is N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine.

What is the SMILES notation for N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine?

The canonical SMILES for N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine is CC1(C)c2ccccc2C2C=CC(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3-c3ccccc3N(c3ccccc3)c3ccc4c5ccccc5c5ccccc5c4c3)=CC21.

What is the InChIKey of N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine?

The InChIKey is PHSMXYZKXKHULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H52N2/c1-69(2)65-34-18-15-31-60(65)61-44-42-52(46-66(61)69)71(50-39-37-48(38-40-50)47-21-5-3-6-22-47)68-36-20-17-33-63(68)57-29-13-12-28-56(57)62-32-16-19-35-67(62)70(49-23-7-4-8-24-49)51-41-43-59-55-27-10-9-25-53(55)54-26-11-14-30-58(54)64(59)45-51/h3-46,61,66H,1-2H3.

What are the key properties of N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine?

N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine has a molecular weight of 909.19 g/mol, XLogP of 18.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine is sourced from PubChem (CID 155010298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).