2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine

C84H66N2 — CID 89187229

About 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine

2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine (PubChem CID 89187229) has the molecular formula C84H66N2 and a molecular weight of 1103.47 g/mol. Its IUPAC name is 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine
• PubChem CID: 89187229
• Molecular Formula: C84H66N2
• Molecular Weight: 1103.47 g/mol
• Exact Mass: 1102.52
• IUPAC Name: 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine
• SMILES: CC1(C)C2=C(CCC(c3c4cc(N(C5=CCCc6ccccc65)c5cccc6ccccc56)ccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(N(C5=CCCc6ccccc65)c5cccc6ccccc56)ccc34)=C2)c2ccccc21
• InChI: InChI=1S/C84H66N2/c1-83(2)73-35-15-13-33-65(73)67-45-41-57(49-75(67)83)81-69-47-43-60(86(79-39-19-27-55-23-7-11-31-63(55)79)80-40-20-28-56-24-8-12-32-64(56)80)52-72(69)82(58-42-46-68-66-34-14-16-36-74(66)84(3,4)76(68)50-58)70-48-44-59(51-71(70)81)85(77-37-17-25-53-21-5-9-29-61(53)77)78-38-18-26-54-22-6-10-30-62(54)78/h5-17,19,21-25,27,29-41,43-45,47-52H,18,20,26,28,42,46H2,1-4H3
• InChIKey: NDQOAPBIVWYXDK-UHFFFAOYSA-N
• XLogP: 22.45
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.47
LogP ≤ 5	22.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine?

The IUPAC name of 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine (CID 89187229) is 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine.

What is the SMILES notation for 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine?

The canonical SMILES for 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine is CC1(C)C2=C(CCC(c3c4cc(N(C5=CCCc6ccccc65)c5cccc6ccccc56)ccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(N(C5=CCCc6ccccc65)c5cccc6ccccc56)ccc34)=C2)c2ccccc21.

What is the InChIKey of 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine?

The InChIKey is NDQOAPBIVWYXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H66N2/c1-83(2)73-35-15-13-33-65(73)67-45-41-57(49-75(67)83)81-69-47-43-60(86(79-39-19-27-55-23-7-11-31-63(55)79)80-40-20-28-56-24-8-12-32-64(56)80)52-72(69)82(58-42-46-68-66-34-14-16-36-74(66)84(3,4)76(68)50-58)70-48-44-59(51-71(70)81)85(77-37-17-25-53-21-5-9-29-61(53)77)78-38-18-26-54-22-6-10-30-62(54)78/h5-17,19,21-25,27,29-41,43-45,47-52H,18,20,26,28,42,46H2,1-4H3.

What are the key properties of 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine?

2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine has a molecular weight of 1103.47 g/mol, XLogP of 22.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N-bis(3,4-dihydronaphthalen-1-yl)-9-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-10-(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-1-ylanthracene-2,6-diamine is sourced from PubChem (CID 89187229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).