2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+)

C32H18N4ORh — CID 162457786

IUPAC2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+)
SMILES[Rh+2].[c-]1c(-n2c3ccccc3c3ccc(-n4[c-]cc5ccccc54)nc32)ccc2occ(-c3ccccn3)c12
InChIInChI=1S/C32H18N4O.Rh/c1-3-10-28-21(7-1)16-18-35(28)31-15-13-24-23-8-2-4-11-29(23)36(32(24)34-31)22-12-14-30-25(19-22)26(20-37-30)27-9-5-6-17-33-27;/h1-17,20H;/q-2;+2
InChIKeyYWITWNUUYHHXKX-UHFFFAOYSA-N
MW577.43 g/mol
LogP7.53
Rot. Bonds3

About 2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+)

2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+) (PubChem CID 162457786) has the molecular formula C32H18N4ORh and a molecular weight of 577.43 g/mol. Its IUPAC name is 2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+).

Molecular Properties

Compound Name2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+)
PubChem CID162457786
Molecular FormulaC32H18N4ORh
Molecular Weight577.43 g/mol
Exact Mass577.05
IUPAC Name2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+)
SMILES[Rh+2].[c-]1c(-n2c3ccccc3c3ccc(-n4[c-]cc5ccccc54)nc32)ccc2occ(-c3ccccn3)c12
InChIInChI=1S/C32H18N4O.Rh/c1-3-10-28-21(7-1)16-18-35(28)31-15-13-24-23-8-2-4-11-29(23)36(32(24)34-31)22-12-14-30-25(19-22)26(20-37-30)27-9-5-6-17-33-27;/h1-17,20H;/q-2;+2
InChIKeyYWITWNUUYHHXKX-UHFFFAOYSA-N
XLogP7.53
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.43
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Furan-2-yl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381652
7-[[5-[4-amino-5-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
CID 156731623
2-N-[2-(1-benzofuran-3-yl)ethyl]-4-N-[2-(1-methylindol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 44528418
9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine
CID 168994704
2-(6-amino-3-pyridinyl)-9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purin-6-amine
CID 176264262
Methyl 9-(furan-3-ylmethyl)pyrido[2,3-b]indole-3-carboxylate
CID 127026315
[9-(Furan-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
CID 127028805
3-[1-[2-(1-Benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyrimidin-2-ylindole
CID 10174651
N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine
CID 68851462
3-[1-[2-(2-Benzofuran-1-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indole
CID 69834445
3-[1-[2-(2-Benzofuran-1-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyrimidin-2-ylindole
CID 69834822
6-[2-(2-Amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide
CID 70941712

Frequently Asked Questions

What is the IUPAC name of 2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+)?
The IUPAC name of 2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+) (CID 162457786) is 2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+).
What is the SMILES notation for 2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+)?
The canonical SMILES for 2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+) is [Rh+2].[c-]1c(-n2c3ccccc3c3ccc(-n4[c-]cc5ccccc54)nc32)ccc2occ(-c3ccccn3)c12.
What is the InChIKey of 2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+)?
The InChIKey is YWITWNUUYHHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4O.Rh/c1-3-10-28-21(7-1)16-18-35(28)31-15-13-24-23-8-2-4-11-29(23)36(32(24)34-31)22-12-14-30-25(19-22)26(20-37-30)27-9-5-6-17-33-27;/h1-17,20H;/q-2;+2.
What are the key properties of 2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+)?
2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+) has a molecular weight of 577.43 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indol-2-id-1-yl)-9-(3-pyridin-2-yl-4H-1-benzofuran-4-id-5-yl)pyrido[2,3-b]indole;rhodium(2+) is sourced from PubChem (CID 162457786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).