5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole

C40H36N6O — CID 140906121

IUPAC5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole
SMILESCC(C)Cc1ccnc(-n2c3ccccc3c3cnc(Oc4cc5c(cn4)c4ccccc4n5-c4cc(CC(C)C)ccn4)cc32)c1
InChIInChI=1S/C40H36N6O/c1-25(2)17-27-13-15-41-37(19-27)45-33-11-7-5-9-29(33)31-23-43-39(21-35(31)45)47-40-22-36-32(24-44-40)30-10-6-8-12-34(30)46(36)38-20-28(14-16-42-38)18-26(3)4/h5-16,19-26H,17-18H2,1-4H3
InChIKeyARFJZFRAHQBOTP-UHFFFAOYSA-N
MW616.77 g/mol
LogP9.65
Rot. Bonds8

About 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole

5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole (PubChem CID 140906121) has the molecular formula C40H36N6O and a molecular weight of 616.77 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole
PubChem CID140906121
Molecular FormulaC40H36N6O
Molecular Weight616.77 g/mol
Exact Mass616.30
IUPAC Name5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole
SMILESCC(C)Cc1ccnc(-n2c3ccccc3c3cnc(Oc4cc5c(cn4)c4ccccc4n5-c4cc(CC(C)C)ccn4)cc32)c1
InChIInChI=1S/C40H36N6O/c1-25(2)17-27-13-15-41-37(19-27)45-33-11-7-5-9-29(33)31-23-43-39(21-35(31)45)47-40-22-36-32(24-44-40)30-10-6-8-12-34(30)46(36)38-20-28(14-16-42-38)18-26(3)4/h5-16,19-26H,17-18H2,1-4H3
InChIKeyARFJZFRAHQBOTP-UHFFFAOYSA-N
XLogP9.65
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole with MolForge

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Related Compounds

9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414468
3-methyl-11-[2-[9-[4-(2-methylpropyl)-2-pyridinyl]carbazol-2-yl]propan-2-yl]-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411393
2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]-5-butylphenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole
CID 153413216
9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153412974
2-[3-[4-[2,6-dimethyl-4-(2-methylpropyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413881
9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
CID 155636264
2-[3-[4-[2,6-diethyl-4-(2-methylpropyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413869
2-[3-[4-[4-(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153414200
2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-(3-methylbutyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole
CID 153416407
2-[3-[4-(2,6-dimethyl-4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 153412931
2-[3-[3-[3,5-bis(2-methylpropyl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652120
16-methyl-3-(2-propan-2-ylphenyl)-9-(5-pyridin-2-ylpyrido[4,3-b]indol-3-yl)oxy-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 153411389

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole?
The IUPAC name of 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole (CID 140906121) is 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole?
The canonical SMILES for 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole is CC(C)Cc1ccnc(-n2c3ccccc3c3cnc(Oc4cc5c(cn4)c4ccccc4n5-c4cc(CC(C)C)ccn4)cc32)c1.
What is the InChIKey of 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole?
The InChIKey is ARFJZFRAHQBOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N6O/c1-25(2)17-27-13-15-41-37(19-27)45-33-11-7-5-9-29(33)31-23-43-39(21-35(31)45)47-40-22-36-32(24-44-40)30-10-6-8-12-34(30)46(36)38-20-28(14-16-42-38)18-26(3)4/h5-16,19-26H,17-18H2,1-4H3.
What are the key properties of 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole?
5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole has a molecular weight of 616.77 g/mol, XLogP of 9.65, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole is sourced from PubChem (CID 140906121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).