N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine

C167H118N4O3 — CID 158396474

IUPACN-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
SMILESCOc1ccc(N(c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.COc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.COc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccccn2)cc1
InChIInChI=1S/C60H45NO.C59H39NO.C48H34N2O/c1-62-46-31-27-43(28-32-46)61(45-29-33-49-48-24-13-14-26-55(48)60(56(49)38-45)35-15-16-36-60)44-30-34-51-54(37-44)47-23-11-12-25-50(47)58-53(41-19-7-3-8-20-41)39-52(40-17-5-2-6-18-40)57(59(51)58)42-21-9-4-10-22-42;1-61-43-31-28-41(29-32-43)60(55-35-34-49-45-23-12-11-22-44(45)47-26-15-27-51(55)57(47)49)42-30-33-50-54(36-42)46-24-13-14-25-48(46)58-53(39-18-7-3-8-19-39)37-52(38-16-5-2-6-17-38)56(59(50)58)40-20-9-4-10-21-40;1-51-38-27-24-36(25-28-38)50(45-23-13-14-30-49-45)37-26-29-41-44(31-37)39-21-11-12-22-40(39)47-43(34-17-7-3-8-18-34)32-42(33-15-5-2-6-16-33)46(48(41)47)35-19-9-4-10-20-35/h2-14,17-34,37-39H,15-16,35-36H2,1H3;2-37H,1H3;2-32H,1H3
InChIKeyGXPIHDQLZVOYBA-UHFFFAOYSA-N
MW2228.81 g/mol
LogP45.91
Rot. Bonds21

About N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine

N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine (PubChem CID 158396474) has the molecular formula C167H118N4O3 and a molecular weight of 2228.81 g/mol. Its IUPAC name is N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
PubChem CID158396474
Molecular FormulaC167H118N4O3
Molecular Weight2228.81 g/mol
Exact Mass2226.92
IUPAC NameN-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
SMILESCOc1ccc(N(c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.COc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.COc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccccn2)cc1
InChIInChI=1S/C60H45NO.C59H39NO.C48H34N2O/c1-62-46-31-27-43(28-32-46)61(45-29-33-49-48-24-13-14-26-55(48)60(56(49)38-45)35-15-16-36-60)44-30-34-51-54(37-44)47-23-11-12-25-50(47)58-53(41-19-7-3-8-20-41)39-52(40-17-5-2-6-18-40)57(59(51)58)42-21-9-4-10-22-42;1-61-43-31-28-41(29-32-43)60(55-35-34-49-45-23-12-11-22-44(45)47-26-15-27-51(55)57(47)49)42-30-33-50-54(36-42)46-24-13-14-25-48(46)58-53(39-18-7-3-8-19-39)37-52(38-16-5-2-6-17-38)56(59(50)58)40-20-9-4-10-21-40;1-51-38-27-24-36(25-28-38)50(45-23-13-14-30-49-45)37-26-29-41-44(31-37)39-21-11-12-22-40(39)47-43(34-17-7-3-8-18-34)32-42(33-15-5-2-6-16-33)46(48(41)47)35-19-9-4-10-20-35/h2-14,17-34,37-39H,15-16,35-36H2,1H3;2-37H,1H3;2-32H,1H3
InChIKeyGXPIHDQLZVOYBA-UHFFFAOYSA-N
XLogP45.91
TPSA50.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002228.81
LogP ≤ 545.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The IUPAC name of N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine (CID 158396474) is N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine.
What is the SMILES notation for N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The canonical SMILES for N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine is COc1ccc(N(c2ccc3c(c2)C2(CCCC2)c2ccccc2-3)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.COc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.COc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccccn2)cc1.
What is the InChIKey of N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The InChIKey is GXPIHDQLZVOYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO.C59H39NO.C48H34N2O/c1-62-46-31-27-43(28-32-46)61(45-29-33-49-48-24-13-14-26-55(48)60(56(49)38-45)35-15-16-36-60)44-30-34-51-54(37-44)47-23-11-12-25-50(47)58-53(41-19-7-3-8-20-41)39-52(40-17-5-2-6-18-40)57(59(51)58)42-21-9-4-10-22-42;1-61-43-31-28-41(29-32-43)60(55-35-34-49-45-23-12-11-22-44(45)47-26-15-27-51(55)57(47)49)42-30-33-50-54(36-42)46-24-13-14-25-48(46)58-53(39-18-7-3-8-19-39)37-52(38-16-5-2-6-17-38)56(59(50)58)40-20-9-4-10-21-40;1-51-38-27-24-36(25-28-38)50(45-23-13-14-30-49-45)37-26-29-41-44(31-37)39-21-11-12-22-40(39)47-43(34-17-7-3-8-18-34)32-42(33-15-5-2-6-16-33)46(48(41)47)35-19-9-4-10-20-35/h2-14,17-34,37-39H,15-16,35-36H2,1H3;2-37H,1H3;2-32H,1H3.
What are the key properties of N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine has a molecular weight of 2228.81 g/mol, XLogP of 45.91, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoranthen-3-yl-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine is sourced from PubChem (CID 158396474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).