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5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole

C43H32N4O — CID 140954421

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole
SMILESCC1(C)c2cccnc2N(c2cccc(Oc3cccc(-c4ccccn4)c3)c2)c2c1ccc1c2c2ccccc2n1-c1ccccc1
InChIInChI=1S/C43H32N4O/c1-43(2)35-23-24-39-40(34-19-6-7-22-38(34)46(39)30-14-4-3-5-15-30)41(35)47(42-36(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)37-21-8-9-25-44-37/h3-28H,1-2H3
InChIKeyWNXNMOOOIUXVMX-UHFFFAOYSA-N
MW620.76 g/mol
LogP11.14
Rot. Bonds5

About 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole

5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole (PubChem CID 140954421) has the molecular formula C43H32N4O and a molecular weight of 620.76 g/mol. Its IUPAC name is 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole.

Molecular Properties

Compound Name5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole
PubChem CID140954421
Molecular FormulaC43H32N4O
Molecular Weight620.76 g/mol
Exact Mass620.26
IUPAC Name5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole
SMILESCC1(C)c2cccnc2N(c2cccc(Oc3cccc(-c4ccccn4)c3)c2)c2c1ccc1c2c2ccccc2n1-c1ccccc1
InChIInChI=1S/C43H32N4O/c1-43(2)35-23-24-39-40(34-19-6-7-22-38(34)46(39)30-14-4-3-5-15-30)41(35)47(42-36(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)37-21-8-9-25-44-37/h3-28H,1-2H3
InChIKeyWNXNMOOOIUXVMX-UHFFFAOYSA-N
XLogP11.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.76
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole?
The IUPAC name of 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole (CID 140954421) is 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole.
What is the SMILES notation for 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole?
The canonical SMILES for 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole is CC1(C)c2cccnc2N(c2cccc(Oc3cccc(-c4ccccn4)c3)c2)c2c1ccc1c2c2ccccc2n1-c1ccccc1.
What is the InChIKey of 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole?
The InChIKey is WNXNMOOOIUXVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O/c1-43(2)35-23-24-39-40(34-19-6-7-22-38(34)46(39)30-14-4-3-5-15-30)41(35)47(42-36(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)37-21-8-9-25-44-37/h3-28H,1-2H3.
What are the key properties of 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole?
5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole has a molecular weight of 620.76 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole is sourced from PubChem (CID 140954421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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