2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde

C102H80N4O6 — CID 160696510

About 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde

2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde (PubChem CID 160696510) has the molecular formula C102H80N4O6 and a molecular weight of 1457.78 g/mol. Its IUPAC name is 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde.

Molecular Properties

• Compound Name: 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde
• PubChem CID: 160696510
• Molecular Formula: C102H80N4O6
• Molecular Weight: 1457.78 g/mol
• Exact Mass: 1456.61
• IUPAC Name: 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde
• SMILES: CC1(C)c2cc(N(c3cccc(C4OCCO4)c3)c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(C4OCCO4)c3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3cccc(C=O)c3)c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(C=O)c3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C53H44N2O4.C49H36N2O2/c1-53(2)47-33-41(54(49-21-9-13-35-11-3-5-19-43(35)49)39-17-7-15-37(31-39)51-56-27-28-57-51)23-25-45(47)46-26-24-42(34-48(46)53)55(50-22-10-14-36-12-4-6-20-44(36)50)40-18-8-16-38(32-40)52-58-29-30-59-52;1-49(2)45-29-39(50(37-17-7-11-33(27-37)31-52)47-21-9-15-35-13-3-5-19-41(35)47)23-25-43(45)44-26-24-40(30-46(44)49)51(38-18-8-12-34(28-38)32-53)48-22-10-16-36-14-4-6-20-42(36)48/h3-26,31-34,51-52H,27-30H2,1-2H3;3-32H,1-2H3
• InChIKey: RQBITNLLBJEGNO-UHFFFAOYSA-N
• XLogP: 26.19
• TPSA: 84.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1457.78
LogP ≤ 5	26.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde?

The IUPAC name of 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde (CID 160696510) is 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde.

What is the SMILES notation for 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde?

The canonical SMILES for 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde is CC1(C)c2cc(N(c3cccc(C4OCCO4)c3)c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(C4OCCO4)c3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3cccc(C=O)c3)c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(C=O)c3)c3cccc4ccccc34)cc21.

What is the InChIKey of 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde?

The InChIKey is RQBITNLLBJEGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N2O4.C49H36N2O2/c1-53(2)47-33-41(54(49-21-9-13-35-11-3-5-19-43(35)49)39-17-7-15-37(31-39)51-56-27-28-57-51)23-25-45(47)46-26-24-42(34-48(46)53)55(50-22-10-14-36-12-4-6-20-44(36)50)40-18-8-16-38(32-40)52-58-29-30-59-52;1-49(2)45-29-39(50(37-17-7-11-33(27-37)31-52)47-21-9-15-35-13-3-5-19-41(35)47)23-25-43(45)44-26-24-40(30-46(44)49)51(38-18-8-12-34(28-38)32-53)48-22-10-16-36-14-4-6-20-42(36)48/h3-26,31-34,51-52H,27-30H2,1-2H3;3-32H,1-2H3.

What are the key properties of 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde?

2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde has a molecular weight of 1457.78 g/mol, XLogP of 26.19, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-bis[3-(1,3-dioxolan-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;3-[[7-(3-formyl-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-1-ylamino]benzaldehyde is sourced from PubChem (CID 160696510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).