9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole

C43H44N4O3 — CID 163265871

IUPAC9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
SMILESCc1c2ccncc2c(C)c2c1[nH]c1ccc(OCC(C)(C)OCCC(C)(C)Oc3ccc4[nH]c5c(C)c6ccncc6c(C)c5c4c3)cc12
InChIInChI=1S/C43H44N4O3/c1-24-34-21-44-16-13-30(34)26(3)40-38(24)32-19-28(9-11-36(32)46-40)48-23-43(7,8)49-18-15-42(5,6)50-29-10-12-37-33(20-29)39-25(2)35-22-45-17-14-31(35)27(4)41(39)47-37/h9-14,16-17,19-22,46-47H,15,18,23H2,1-8H3
InChIKeyILZGQMUUOJYISK-UHFFFAOYSA-N
MW664.85 g/mol
LogP10.71
Rot. Bonds9

About 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole

9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole (PubChem CID 163265871) has the molecular formula C43H44N4O3 and a molecular weight of 664.85 g/mol. Its IUPAC name is 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole.

Molecular Properties

Compound Name9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
PubChem CID163265871
Molecular FormulaC43H44N4O3
Molecular Weight664.85 g/mol
Exact Mass664.34
IUPAC Name9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
SMILESCc1c2ccncc2c(C)c2c1[nH]c1ccc(OCC(C)(C)OCCC(C)(C)Oc3ccc4[nH]c5c(C)c6ccncc6c(C)c5c4c3)cc12
InChIInChI=1S/C43H44N4O3/c1-24-34-21-44-16-13-30(34)26(3)40-38(24)32-19-28(9-11-36(32)46-40)48-23-43(7,8)49-18-15-42(5,6)50-29-10-12-37-33(20-29)39-25(2)35-22-45-17-14-31(35)27(4)41(39)47-37/h9-14,16-17,19-22,46-47H,15,18,23H2,1-8H3
InChIKeyILZGQMUUOJYISK-UHFFFAOYSA-N
XLogP10.71
TPSA85.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 510.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole?
The IUPAC name of 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole (CID 163265871) is 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole.
What is the SMILES notation for 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole?
The canonical SMILES for 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole is Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OCC(C)(C)OCCC(C)(C)Oc3ccc4[nH]c5c(C)c6ccncc6c(C)c5c4c3)cc12.
What is the InChIKey of 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole?
The InChIKey is ILZGQMUUOJYISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N4O3/c1-24-34-21-44-16-13-30(34)26(3)40-38(24)32-19-28(9-11-36(32)46-40)48-23-43(7,8)49-18-15-42(5,6)50-29-10-12-37-33(20-29)39-25(2)35-22-45-17-14-31(35)27(4)41(39)47-37/h9-14,16-17,19-22,46-47H,15,18,23H2,1-8H3.
What are the key properties of 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole?
9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole has a molecular weight of 664.85 g/mol, XLogP of 10.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-3-methylbutoxy]-2-methylpropoxy]-5,11-dimethyl-6H-pyrido[4,3-b]carbazole is sourced from PubChem (CID 163265871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).