1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine

C106H82N2O2Si2 — CID 155620047

About 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine

1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine (PubChem CID 155620047) has the molecular formula C106H82N2O2Si2 and a molecular weight of 1472.01 g/mol. Its IUPAC name is 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine
• PubChem CID: 155620047
• Molecular Formula: C106H82N2O2Si2
• Molecular Weight: 1472.01 g/mol
• Exact Mass: 1470.59
• IUPAC Name: 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine
• SMILES: C=C/C=C\C(=C)[Si](c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc(C(C)C)c4ccc5c(N(c6ccc(-c7ccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)cc7)cc6)c6ccc7c(c6)oc6ccccc67)cc(C(C)C)c6ccc3c4c65)cc2)cc1
• InChI: InChI=1S/C106H82N2O2Si2/c1-7-8-28-73(6)111(82-29-14-9-15-30-82,83-31-16-10-17-32-83)87-57-47-76(48-58-87)74-43-51-78(52-44-74)107(80-55-61-91-89-39-24-26-41-101(89)109-103(91)67-80)99-69-97(71(2)3)93-64-66-96-100(70-98(72(4)5)94-63-65-95(99)105(93)106(94)96)108(81-56-62-92-90-40-25-27-42-102(90)110-104(92)68-81)79-53-45-75(46-54-79)77-49-59-88(60-50-77)112(84-33-18-11-19-34-84,85-35-20-12-21-36-85)86-37-22-13-23-38-86/h7-72H,1,6H2,2-5H3/b28-8-
• InChIKey: DNHBUZMLUAHUGM-IJFXDBOGSA-N
• XLogP: 24.59
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1472.01
LogP ≤ 5	24.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine (CID 155620047) is 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine.

What is the SMILES notation for 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine?

The canonical SMILES for 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine is C=C/C=C\C(=C)[Si](c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc(C(C)C)c4ccc5c(N(c6ccc(-c7ccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)cc7)cc6)c6ccc7c(c6)oc6ccccc67)cc(C(C)C)c6ccc3c4c65)cc2)cc1.

What is the InChIKey of 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine?

The InChIKey is DNHBUZMLUAHUGM-IJFXDBOGSA-N. The full InChI is InChI=1S/C106H82N2O2Si2/c1-7-8-28-73(6)111(82-29-14-9-15-30-82,83-31-16-10-17-32-83)87-57-47-76(48-58-87)74-43-51-78(52-44-74)107(80-55-61-91-89-39-24-26-41-101(89)109-103(91)67-80)99-69-97(71(2)3)93-64-66-96-100(70-98(72(4)5)94-63-65-95(99)105(93)106(94)96)108(81-56-62-92-90-40-25-27-42-102(90)110-104(92)68-81)79-53-45-75(46-54-79)77-49-59-88(60-50-77)112(84-33-18-11-19-34-84,85-35-20-12-21-36-85)86-37-22-13-23-38-86/h7-72H,1,6H2,2-5H3/b28-8-.

What are the key properties of 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine?

1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine has a molecular weight of 1472.01 g/mol, XLogP of 24.59, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,6-N-di(dibenzofuran-3-yl)-1-N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-3,8-di(propan-2-yl)-6-N-[4-(4-triphenylsilylphenyl)phenyl]pyrene-1,6-diamine is sourced from PubChem (CID 155620047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).