9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole

C41H24N6 — CID 59609462

IUPAC9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole
SMILES[C-]#[N+]c1c2ccccc2c(-c2cc(-c3ccc(-n4c5ccccc5c5cccnc54)nc3)cc(-c3ccncc3)n2)c2ccccc12
InChIInChI=1S/C41H24N6/c1-42-40-32-12-4-2-10-30(32)39(31-11-3-5-13-33(31)40)36-24-28(23-35(46-36)26-18-21-43-22-19-26)27-16-17-38(45-25-27)47-37-15-7-6-9-29(37)34-14-8-20-44-41(34)47/h2-25H
InChIKeyPCTKMPLJVLQXJR-UHFFFAOYSA-N
MW600.69 g/mol
LogP10.22
Rot. Bonds4

About 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole

9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole (PubChem CID 59609462) has the molecular formula C41H24N6 and a molecular weight of 600.69 g/mol. Its IUPAC name is 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole
PubChem CID59609462
Molecular FormulaC41H24N6
Molecular Weight600.69 g/mol
Exact Mass600.21
IUPAC Name9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole
SMILES[C-]#[N+]c1c2ccccc2c(-c2cc(-c3ccc(-n4c5ccccc5c5cccnc54)nc3)cc(-c3ccncc3)n2)c2ccccc12
InChIInChI=1S/C41H24N6/c1-42-40-32-12-4-2-10-30(32)39(31-11-3-5-13-33(31)40)36-24-28(23-35(46-36)26-18-21-43-22-19-26)27-16-17-38(45-25-27)47-37-15-7-6-9-29(37)34-14-8-20-44-41(34)47/h2-25H
InChIKeyPCTKMPLJVLQXJR-UHFFFAOYSA-N
XLogP10.22
TPSA60.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.69
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole with MolForge

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Launch Full Analysis

Related Compounds

9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole
CID 59609449
9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole
CID 59609495
9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 160544614
9-(4,6-diphenyl-2-pyridinyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221619
9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59609470
9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
CID 121422859
9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 58099080
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
9-[4-[4-phenanthren-9-yl-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 59326049
9-[10-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]anthracen-9-yl]carbazole;9-[10-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]anthracen-9-yl]carbazole;9-[5-[2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]pyrazin-2-yl]carbazole;9-[5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]pyrazin-2-yl]carbazole
CID 159953710
9-pyridin-2-yl-6-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]pyrido[2,3-b]indole
CID 118403871
11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118502539

Frequently Asked Questions

What is the IUPAC name of 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole (CID 59609462) is 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole is [C-]#[N+]c1c2ccccc2c(-c2cc(-c3ccc(-n4c5ccccc5c5cccnc54)nc3)cc(-c3ccncc3)n2)c2ccccc12.
What is the InChIKey of 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole?
The InChIKey is PCTKMPLJVLQXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6/c1-42-40-32-12-4-2-10-30(32)39(31-11-3-5-13-33(31)40)36-24-28(23-35(46-36)26-18-21-43-22-19-26)27-16-17-38(45-25-27)47-37-15-7-6-9-29(37)34-14-8-20-44-41(34)47/h2-25H.
What are the key properties of 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole?
9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole has a molecular weight of 600.69 g/mol, XLogP of 10.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole is sourced from PubChem (CID 59609462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).