1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol

C28H21NO2 — CID 138984745

IUPAC1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol
SMILESCOc1ccc2c3c(-c4c(O)ccc5ccccc45)cc4ccccc4c3n(C)c2c1
InChIInChI=1S/C28H21NO2/c1-29-24-16-19(31-2)12-13-22(24)27-23(15-18-8-4-6-10-21(18)28(27)29)26-20-9-5-3-7-17(20)11-14-25(26)30/h3-16,30H,1-2H3
InChIKeyPSWSIGPJIWXIOM-UHFFFAOYSA-N
MW403.48 g/mol
LogP7.02
Rot. Bonds2

About 1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol

1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol (PubChem CID 138984745) has the molecular formula C28H21NO2 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol
PubChem CID138984745
Molecular FormulaC28H21NO2
Molecular Weight403.48 g/mol
Exact Mass403.16
IUPAC Name1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol
SMILESCOc1ccc2c3c(-c4c(O)ccc5ccccc45)cc4ccccc4c3n(C)c2c1
InChIInChI=1S/C28H21NO2/c1-29-24-16-19(31-2)12-13-22(24)27-23(15-18-8-4-6-10-21(18)28(27)29)26-20-9-5-3-7-17(20)11-14-25(26)30/h3-16,30H,1-2H3
InChIKeyPSWSIGPJIWXIOM-UHFFFAOYSA-N
XLogP7.02
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzo[g]indol-3-yl)-6-methoxynaphthalen-2-ol
CID 142739888
1-[12-(2-hydroxynaphthalen-1-yl)-5,11-dimethylindolo[3,2-b]carbazol-6-yl]naphthalen-2-ol
CID 170680295
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-(1H-indol-3-yl)-7-methoxynaphthalen-2-ol
CID 142739880
ethane;1-(2-hydroxy-3-methoxyphenyl)naphthalen-2-ol
CID 144695247
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(2,5-dimethoxy-3,4-dimethylphenyl)naphthalen-2-ol
CID 15130773
1-[2-bis(4-methoxyphenyl)phosphorylnaphthalen-1-yl]naphthalen-2-ol
CID 10459654
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]-4-methoxybenzenesulfonamide
CID 1324609
7-methoxy-4-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
CID 132851119
2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
CID 136677845
2-(4-methoxyphenyl)-9-methylcarbazol-4-ol
CID 155167849

Frequently Asked Questions

What is the IUPAC name of 1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol?
The IUPAC name of 1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol (CID 138984745) is 1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol?
The canonical SMILES for 1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol is COc1ccc2c3c(-c4c(O)ccc5ccccc45)cc4ccccc4c3n(C)c2c1.
What is the InChIKey of 1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol?
The InChIKey is PSWSIGPJIWXIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO2/c1-29-24-16-19(31-2)12-13-22(24)27-23(15-18-8-4-6-10-21(18)28(27)29)26-20-9-5-3-7-17(20)11-14-25(26)30/h3-16,30H,1-2H3.
What are the key properties of 1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol?
1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol has a molecular weight of 403.48 g/mol, XLogP of 7.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methoxy-11-methylbenzo[a]carbazol-6-yl)naphthalen-2-ol is sourced from PubChem (CID 138984745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).