7-methyl-[1]benzoselenolo[2,3-b]carbazole

C19H13NSe — CID 158696762

IUPAC7-methyl-[1]benzoselenolo[2,3-b]carbazole
SMILESCn1c2ccccc2c2cc3c(cc21)[se]c1ccccc13
InChIInChI=1S/C19H13NSe/c1-20-16-8-4-2-6-12(16)14-10-15-13-7-3-5-9-18(13)21-19(15)11-17(14)20/h2-11H,1H3
InChIKeyZZJDQFFHTQISHX-UHFFFAOYSA-N
MW334.28 g/mol
LogP4.69
Rot. Bonds

About 7-methyl-[1]benzoselenolo[2,3-b]carbazole

7-methyl-[1]benzoselenolo[2,3-b]carbazole (PubChem CID 158696762) has the molecular formula C19H13NSe and a molecular weight of 334.28 g/mol. Its IUPAC name is 7-methyl-[1]benzoselenolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-methyl-[1]benzoselenolo[2,3-b]carbazole
PubChem CID158696762
Molecular FormulaC19H13NSe
Molecular Weight334.28 g/mol
Exact Mass335.02
IUPAC Name7-methyl-[1]benzoselenolo[2,3-b]carbazole
SMILESCn1c2ccccc2c2cc3c(cc21)[se]c1ccccc13
InChIInChI=1S/C19H13NSe/c1-20-16-8-4-2-6-12(16)14-10-15-13-7-3-5-9-18(13)21-19(15)11-17(14)20/h2-11H,1H3
InChIKeyZZJDQFFHTQISHX-UHFFFAOYSA-N
XLogP4.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 159710949
15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 145449768
10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58131761
ethane;9-methylcarbazole;triphenylene
CID 142356751
9,31-dimethyl-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-dimethyl-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene
CID 165036844
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
3-bromo-2-ethoxy-9-methylcarbazole
CID 153297247
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole
CID 12584877
2-ethyl-9-methylcarbazole
CID 71038255
5-methyl-11H-indeno[1,2-b]carbazole
CID 71127484

Frequently Asked Questions

What is the IUPAC name of 7-methyl-[1]benzoselenolo[2,3-b]carbazole?
The IUPAC name of 7-methyl-[1]benzoselenolo[2,3-b]carbazole (CID 158696762) is 7-methyl-[1]benzoselenolo[2,3-b]carbazole.
What is the SMILES notation for 7-methyl-[1]benzoselenolo[2,3-b]carbazole?
The canonical SMILES for 7-methyl-[1]benzoselenolo[2,3-b]carbazole is Cn1c2ccccc2c2cc3c(cc21)[se]c1ccccc13.
What is the InChIKey of 7-methyl-[1]benzoselenolo[2,3-b]carbazole?
The InChIKey is ZZJDQFFHTQISHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NSe/c1-20-16-8-4-2-6-12(16)14-10-15-13-7-3-5-9-18(13)21-19(15)11-17(14)20/h2-11H,1H3.
What are the key properties of 7-methyl-[1]benzoselenolo[2,3-b]carbazole?
7-methyl-[1]benzoselenolo[2,3-b]carbazole has a molecular weight of 334.28 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-[1]benzoselenolo[2,3-b]carbazole is sourced from PubChem (CID 158696762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).