azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole

C57H45N9 — CID 144765339

IUPACazane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESC=CC(=C)C(=C)/N=C/C.N.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cccc(-n3c4ccc(-c5ccccc5-c5ccccn5)cc4c4ncccc43)n2)nc1
InChIInChI=1S/C49H31N7.C8H11N.H3N/c1-3-14-36(40-16-5-7-26-50-40)34(12-1)32-22-24-42-38(30-32)48-44(18-10-28-52-48)55(42)46-20-9-21-47(54-46)56-43-25-23-33(31-39(43)49-45(56)19-11-29-53-49)35-13-2-4-15-37(35)41-17-6-8-27-51-41;1-5-7(3)8(4)9-6-2;/h1-31H;5-6H,1,3-4H2,2H3;1H3/b;9-6+;
InChIKeyPDINDXWNSAZSPH-YJXWIHHLSA-N
MW856.05 g/mol
LogP14.02
Rot. Bonds9

About azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole

azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 144765339) has the molecular formula C57H45N9 and a molecular weight of 856.05 g/mol. Its IUPAC name is azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Nameazane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole
PubChem CID144765339
Molecular FormulaC57H45N9
Molecular Weight856.05 g/mol
Exact Mass855.38
IUPAC Nameazane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESC=CC(=C)C(=C)/N=C/C.N.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cccc(-n3c4ccc(-c5ccccc5-c5ccccn5)cc4c4ncccc43)n2)nc1
InChIInChI=1S/C49H31N7.C8H11N.H3N/c1-3-14-36(40-16-5-7-26-50-40)34(12-1)32-22-24-42-38(30-32)48-44(18-10-28-52-48)55(42)46-20-9-21-47(54-46)56-43-25-23-33(31-39(43)49-45(56)19-11-29-53-49)35-13-2-4-15-37(35)41-17-6-8-27-51-41;1-5-7(3)8(4)9-6-2;/h1-31H;5-6H,1,3-4H2,2H3;1H3/b;9-6+;
InChIKeyPDINDXWNSAZSPH-YJXWIHHLSA-N
XLogP14.02
TPSA121.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.05
LogP ≤ 514.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole with MolForge

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Related Compounds

5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
CID 144612501
5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
CID 59480404
5-(9-methylcarbazol-3-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 58370085
2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine
CID 144837100
8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 129259902
5-[3-methyl-2-[(1Z)-3-(5-phenylpyrido[3,2-b]indol-8-yl)buta-1,3-dienyl]-1-benzofuran-5-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 146542263
5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 67094853
5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
CID 59480454
8-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221984
5-(4,6-diphenyl-2-pyridinyl)-8-[9-(4,6-diphenyl-2-pyridinyl)pyrido[2,3-b]indol-6-yl]pyrido[3,2-b]indole
CID 146187839
3,6-difluoro-9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]carbazole
CID 153499070
8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole
CID 145030995

Frequently Asked Questions

What is the IUPAC name of azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole?
The IUPAC name of azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole (CID 144765339) is azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole.
What is the SMILES notation for azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole?
The canonical SMILES for azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole is C=CC(=C)C(=C)/N=C/C.N.c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cccc(-n3c4ccc(-c5ccccc5-c5ccccn5)cc4c4ncccc43)n2)nc1.
What is the InChIKey of azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole?
The InChIKey is PDINDXWNSAZSPH-YJXWIHHLSA-N. The full InChI is InChI=1S/C49H31N7.C8H11N.H3N/c1-3-14-36(40-16-5-7-26-50-40)34(12-1)32-22-24-42-38(30-32)48-44(18-10-28-52-48)55(42)46-20-9-21-47(54-46)56-43-25-23-33(31-39(43)49-45(56)19-11-29-53-49)35-13-2-4-15-37(35)41-17-6-8-27-51-41;1-5-7(3)8(4)9-6-2;/h1-31H;5-6H,1,3-4H2,2H3;1H3/b;9-6+;.
What are the key properties of azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole?
azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole has a molecular weight of 856.05 g/mol, XLogP of 14.02, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(3-methylidenepenta-1,4-dien-2-yl)ethanimine;8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 144765339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).