anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine

C147H93N21 — CID 157196415

IUPACanthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine
SMILESC#Cc1c2ccccc2c(C#C)c2cc3c(C#C)c4ccccc4c(C#C)c3cc12.C#Cc1cccc2c(/C=C/c3ccncc3)c3cccc(C#C)c3c(C#C)c12.C(#Cc1c2cccc(-c3ccncc3)c2cc2c(-c3ccncc3)cccc12)c1ccncc1.C(=C/c1ccnc2nccnc12)\c1ccnc2nccnc12.Nc1ccc(N)c2c(N)c3c(N)ccc(N)c3c(N)c12.c1cc(-c2ccncc2)c2cc3c(-c4ccncc4)cccc3c(/N=N/c3ccncc3)c2c1
InChIInChI=1S/C31H19N3.C30H14.C29H19N5.C27H15N.C16H10N6.C14H16N6/c1-3-25(23-11-17-33-18-12-23)30-21-31-26(24-13-19-34-20-14-24)4-2-6-28(31)29(27(30)5-1)8-7-22-9-15-32-16-10-22;1-5-19-23-13-9-10-14-24(23)20(6-2)28-18-30-22(8-4)26-16-12-11-15-25(26)21(7-3)29(30)17-27(19)28;1-3-23(20-7-13-30-14-8-20)27-19-28-24(21-9-15-31-16-10-21)4-2-6-26(28)29(25(27)5-1)34-33-22-11-17-32-18-12-22;1-4-20-9-7-11-24-23(14-13-19-15-17-28-18-16-19)25-12-8-10-21(5-2)27(25)22(6-3)26(20)24;1(11-3-5-19-15-13(11)17-7-9-21-15)2-12-4-6-20-16-14(12)18-8-10-22-16;15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-6,9-21H;1-4,9-18H;1-19H;1-3,7-18H;1-10H;1-4H,15-20H2/b;;34-33+;14-13+;2-1+;
InChIKeyAQHLZBKNKJMEEX-YBSGEVTNSA-N
MW2153.51 g/mol
LogP30.59
Rot. Bonds10

About anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine

anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine (PubChem CID 157196415) has the molecular formula C147H93N21 and a molecular weight of 2153.51 g/mol. Its IUPAC name is anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine.

Molecular Properties

Compound Nameanthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine
PubChem CID157196415
Molecular FormulaC147H93N21
Molecular Weight2153.51 g/mol
Exact Mass2151.79
IUPAC Nameanthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine
SMILESC#Cc1c2ccccc2c(C#C)c2cc3c(C#C)c4ccccc4c(C#C)c3cc12.C#Cc1cccc2c(/C=C/c3ccncc3)c3cccc(C#C)c3c(C#C)c12.C(#Cc1c2cccc(-c3ccncc3)c2cc2c(-c3ccncc3)cccc12)c1ccncc1.C(=C/c1ccnc2nccnc12)\c1ccnc2nccnc12.Nc1ccc(N)c2c(N)c3c(N)ccc(N)c3c(N)c12.c1cc(-c2ccncc2)c2cc3c(-c4ccncc4)cccc3c(/N=N/c3ccncc3)c2c1
InChIInChI=1S/C31H19N3.C30H14.C29H19N5.C27H15N.C16H10N6.C14H16N6/c1-3-25(23-11-17-33-18-12-23)30-21-31-26(24-13-19-34-20-14-24)4-2-6-28(31)29(27(30)5-1)8-7-22-9-15-32-16-10-22;1-5-19-23-13-9-10-14-24(23)20(6-2)28-18-30-22(8-4)26-16-12-11-15-25(26)21(7-3)29(30)17-27(19)28;1-3-23(20-7-13-30-14-8-20)27-19-28-24(21-9-15-31-16-10-21)4-2-6-26(28)29(25(27)5-1)34-33-22-11-17-32-18-12-22;1-4-20-9-7-11-24-23(14-13-19-15-17-28-18-16-19)25-12-8-10-21(5-2)27(25)22(6-3)26(20)24;1(11-3-5-19-15-13(11)17-7-9-21-15)2-12-4-6-20-16-14(12)18-8-10-22-16;15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-6,9-21H;1-4,9-18H;1-19H;1-3,7-18H;1-10H;1-4H,15-20H2/b;;34-33+;14-13+;2-1+;
InChIKeyAQHLZBKNKJMEEX-YBSGEVTNSA-N
XLogP30.59
TPSA348.41 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002153.51
LogP ≤ 530.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine?
The IUPAC name of anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine (CID 157196415) is anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine.
What is the SMILES notation for anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine?
The canonical SMILES for anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine is C#Cc1c2ccccc2c(C#C)c2cc3c(C#C)c4ccccc4c(C#C)c3cc12.C#Cc1cccc2c(/C=C/c3ccncc3)c3cccc(C#C)c3c(C#C)c12.C(#Cc1c2cccc(-c3ccncc3)c2cc2c(-c3ccncc3)cccc12)c1ccncc1.C(=C/c1ccnc2nccnc12)\c1ccnc2nccnc12.Nc1ccc(N)c2c(N)c3c(N)ccc(N)c3c(N)c12.c1cc(-c2ccncc2)c2cc3c(-c4ccncc4)cccc3c(/N=N/c3ccncc3)c2c1.
What is the InChIKey of anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine?
The InChIKey is AQHLZBKNKJMEEX-YBSGEVTNSA-N. The full InChI is InChI=1S/C31H19N3.C30H14.C29H19N5.C27H15N.C16H10N6.C14H16N6/c1-3-25(23-11-17-33-18-12-23)30-21-31-26(24-13-19-34-20-14-24)4-2-6-28(31)29(27(30)5-1)8-7-22-9-15-32-16-10-22;1-5-19-23-13-9-10-14-24(23)20(6-2)28-18-30-22(8-4)26-16-12-11-15-25(26)21(7-3)29(30)17-27(19)28;1-3-23(20-7-13-30-14-8-20)27-19-28-24(21-9-15-31-16-10-21)4-2-6-26(28)29(25(27)5-1)34-33-22-11-17-32-18-12-22;1-4-20-9-7-11-24-23(14-13-19-15-17-28-18-16-19)25-12-8-10-21(5-2)27(25)22(6-3)26(20)24;1(11-3-5-19-15-13(11)17-7-9-21-15)2-12-4-6-20-16-14(12)18-8-10-22-16;15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-6,9-21H;1-4,9-18H;1-19H;1-3,7-18H;1-10H;1-4H,15-20H2/b;;34-33+;14-13+;2-1+;.
What are the key properties of anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine?
anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine has a molecular weight of 2153.51 g/mol, XLogP of 30.59, 10 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1,4,5,8,9,10-hexamine;4-[2-(4,5-dipyridin-4-ylanthracen-9-yl)ethynyl]pyridine;(4,5-dipyridin-4-ylanthracen-9-yl)-pyridin-4-yldiazene;8-[(E)-2-pyrido[2,3-b]pyrazin-8-ylethenyl]pyrido[2,3-b]pyrazine;5,7,12,14-tetraethynylpentacene;4-[(E)-2-(4,5,10-triethynylanthracen-9-yl)ethenyl]pyridine is sourced from PubChem (CID 157196415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).