4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline

C210H126N24 — CID 161047448

IUPAC4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline
SMILES[C-]#[N+]c1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1ccc(-c2ccc(-c3c(C#N)c(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)nc2)cn1.[C-]#[N+]c1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)nc2)cn1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)nc6)cn5)nc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C72H42N8.C70H42N8.C68H42N8/c1-74-72-65(56-37-35-54-58(46-22-10-3-11-23-46)41-63(48-26-14-5-15-27-48)78-69(54)71(56)80-67(72)50-30-18-7-19-31-50)61-39-33-52(44-76-61)51-32-38-60(75-43-51)64-55-36-34-53-57(45-20-8-2-9-21-45)40-62(47-24-12-4-13-25-47)77-68(53)70(55)79-66(59(64)42-73)49-28-16-6-17-29-49;1-71-69-62(54-36-34-52-56(44-20-8-2-9-21-44)40-60(46-24-12-4-13-25-46)74-65(52)67(54)76-63(69)48-28-16-6-17-29-48)58-38-32-50(42-72-58)51-33-39-59(73-43-51)64-55-37-35-53-57(45-22-10-3-11-23-45)41-61(47-26-14-5-15-27-47)75-66(53)68(55)78-70(77-64)49-30-18-7-19-31-49;1-7-19-43(20-8-1)55-39-59(45-23-11-3-12-24-45)71-63-51(55)33-35-53-61(73-67(75-65(53)63)47-27-15-5-16-28-47)57-37-31-49(41-69-57)50-32-38-58(70-42-50)62-54-36-34-52-56(44-21-9-2-10-22-44)40-60(46-25-13-4-14-26-46)72-64(52)66(54)76-68(74-62)48-29-17-6-18-30-48/h2-41,43-44H;2-43H;1-42H
InChIKeyUBRKUIUCACNOPW-UHFFFAOYSA-N
MW2985.49 g/mol
LogP52.18
Rot. Bonds27

About 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline

4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline (PubChem CID 161047448) has the molecular formula C210H126N24 and a molecular weight of 2985.49 g/mol. Its IUPAC name is 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline
PubChem CID161047448
Molecular FormulaC210H126N24
Molecular Weight2985.49 g/mol
Exact Mass2983.06
IUPAC Name4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline
SMILES[C-]#[N+]c1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1ccc(-c2ccc(-c3c(C#N)c(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)nc2)cn1.[C-]#[N+]c1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)nc2)cn1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)nc6)cn5)nc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C72H42N8.C70H42N8.C68H42N8/c1-74-72-65(56-37-35-54-58(46-22-10-3-11-23-46)41-63(48-26-14-5-15-27-48)78-69(54)71(56)80-67(72)50-30-18-7-19-31-50)61-39-33-52(44-76-61)51-32-38-60(75-43-51)64-55-36-34-53-57(45-20-8-2-9-21-45)40-62(47-24-12-4-13-25-47)77-68(53)70(55)79-66(59(64)42-73)49-28-16-6-17-29-49;1-71-69-62(54-36-34-52-56(44-20-8-2-9-21-44)40-60(46-24-12-4-13-25-46)74-65(52)67(54)76-63(69)48-28-16-6-17-29-48)58-38-32-50(42-72-58)51-33-39-59(73-43-51)64-55-37-35-53-57(45-22-10-3-11-23-45)41-61(47-26-14-5-15-27-47)75-66(53)68(55)78-70(77-64)49-30-18-7-19-31-49;1-7-19-43(20-8-1)55-39-59(45-23-11-3-12-24-45)71-63-51(55)33-35-53-61(73-67(75-65(53)63)47-27-15-5-16-28-47)57-37-31-49(41-69-57)50-32-38-58(70-42-50)62-54-36-34-52-56(44-21-9-2-10-22-44)40-60(46-25-13-4-14-26-46)72-64(52)66(54)76-68(74-62)48-29-17-6-18-30-48/h2-41,43-44H;2-43H;1-42H
InChIKeyUBRKUIUCACNOPW-UHFFFAOYSA-N
XLogP52.18
TPSA303.20 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002985.49
LogP ≤ 552.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline?
The IUPAC name of 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline (CID 161047448) is 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline.
What is the SMILES notation for 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline?
The canonical SMILES for 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline is [C-]#[N+]c1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1ccc(-c2ccc(-c3c(C#N)c(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)nc2)cn1.[C-]#[N+]c1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)nc2)cn1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)nc6)cn5)nc(-c5ccccc5)nc4c3n2)cc1.
What is the InChIKey of 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline?
The InChIKey is UBRKUIUCACNOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42N8.C70H42N8.C68H42N8/c1-74-72-65(56-37-35-54-58(46-22-10-3-11-23-46)41-63(48-26-14-5-15-27-48)78-69(54)71(56)80-67(72)50-30-18-7-19-31-50)61-39-33-52(44-76-61)51-32-38-60(75-43-51)64-55-36-34-53-57(45-20-8-2-9-21-45)40-62(47-24-12-4-13-25-47)77-68(53)70(55)79-66(59(64)42-73)49-28-16-6-17-29-49;1-71-69-62(54-36-34-52-56(44-20-8-2-9-21-44)40-60(46-24-12-4-13-25-46)74-65(52)67(54)76-63(69)48-28-16-6-17-29-48)58-38-32-50(42-72-58)51-33-39-59(73-43-51)64-55-37-35-53-57(45-22-10-3-11-23-45)41-61(47-26-14-5-15-27-47)75-66(53)68(55)78-70(77-64)49-30-18-7-19-31-49;1-7-19-43(20-8-1)55-39-59(45-23-11-3-12-24-45)71-63-51(55)33-35-53-61(73-67(75-65(53)63)47-27-15-5-16-28-47)57-37-31-49(41-69-57)50-32-38-58(70-42-50)62-54-36-34-52-56(44-21-9-2-10-22-44)40-60(46-25-13-4-14-26-46)72-64(52)66(54)76-68(74-62)48-29-17-6-18-30-48/h2-41,43-44H;2-43H;1-42H.
What are the key properties of 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline?
4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline has a molecular weight of 2985.49 g/mol, XLogP of 52.18, 27 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile;4-[5-[6-(3-isocyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline;2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline is sourced from PubChem (CID 161047448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).