N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine

C96H64N2 — CID 89084007

About N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine

N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine (PubChem CID 89084007) has the molecular formula C96H64N2 and a molecular weight of 1245.58 g/mol. Its IUPAC name is N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine
• PubChem CID: 89084007
• Molecular Formula: C96H64N2
• Molecular Weight: 1245.58 g/mol
• Exact Mass: 1244.51
• IUPAC Name: N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine
• SMILES: C1=CC2=CC(N(c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5)c5c6ccc(-c7cc8ccccc8c8ccccc78)cc6c6cc(-c7ccccc7)ccc6c45)cc3)c3ccc4ccccc4c3)=CCC2C=C1
• InChI: InChI=1S/C96H64N2/c1-3-19-63(20-4-1)75-43-53-87-92(59-75)93-61-77(89-60-76-31-15-16-32-84(76)85-33-17-18-34-86(85)89)44-54-88(93)96-94(70-41-47-79(48-42-70)98(82-51-37-66-23-9-13-29-73(66)57-82)83-52-38-67-24-10-14-30-74(67)58-83)90(68-25-5-2-6-26-68)62-91(95(87)96)69-39-45-78(46-40-69)97(80-49-35-64-21-7-11-27-71(64)55-80)81-50-36-65-22-8-12-28-72(65)56-81/h1-35,37-62,65H,36H2
• InChIKey: YDMLFXPGRFFIFV-UHFFFAOYSA-N
• XLogP: 26.81
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1245.58
LogP ≤ 5	26.81
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-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine?

The IUPAC name of N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine (CID 89084007) is N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine.

What is the SMILES notation for N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine?

The canonical SMILES for N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine is C1=CC2=CC(N(c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5)c5c6ccc(-c7cc8ccccc8c8ccccc78)cc6c6cc(-c7ccccc7)ccc6c45)cc3)c3ccc4ccccc4c3)=CCC2C=C1.

What is the InChIKey of N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine?

The InChIKey is YDMLFXPGRFFIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H64N2/c1-3-19-63(20-4-1)75-43-53-87-92(59-75)93-61-77(89-60-76-31-15-16-32-84(76)85-33-17-18-34-86(85)89)44-54-88(93)96-94(70-41-47-79(48-42-70)98(82-51-37-66-23-9-13-29-73(66)57-82)83-52-38-67-24-10-14-30-74(67)58-83)90(68-25-5-2-6-26-68)62-91(95(87)96)69-39-45-78(46-40-69)97(80-49-35-64-21-7-11-27-71(64)55-80)81-50-36-65-22-8-12-28-72(65)56-81/h1-35,37-62,65H,36H2.

What are the key properties of N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine?

N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine has a molecular weight of 1245.58 g/mol, XLogP of 26.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 89084007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).