3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole

C19H17BrN2O2 — CID 134375514

IUPAC3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole
SMILESCOc1ccc2c(c1N=O)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2
InChIInChI=1S/C19H17BrN2O2/c1-19(2)16-10(4-7-15(24-3)17(16)22-23)8-13-12-6-5-11(20)9-14(12)21-18(13)19/h4-7,9,21H,8H2,1-3H3
InChIKeyVUOKGHHPJIAMDC-UHFFFAOYSA-N
MW385.26 g/mol
LogP5.57
Rot. Bonds2

About 3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole

3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole (PubChem CID 134375514) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole.

Molecular Properties

Compound Name3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole
PubChem CID134375514
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole
SMILESCOc1ccc2c(c1N=O)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2
InChIInChI=1S/C19H17BrN2O2/c1-19(2)16-10(4-7-15(24-3)17(16)22-23)8-13-12-6-5-11(20)9-14(12)21-18(13)19/h4-7,9,21H,8H2,1-3H3
InChIKeyVUOKGHHPJIAMDC-UHFFFAOYSA-N
XLogP5.57
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.26
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole?
The IUPAC name of 3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole (CID 134375514) is 3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole.
What is the SMILES notation for 3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole?
The canonical SMILES for 3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole is COc1ccc2c(c1N=O)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2.
What is the InChIKey of 3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole?
The InChIKey is VUOKGHHPJIAMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-19(2)16-10(4-7-15(24-3)17(16)22-23)8-13-12-6-5-11(20)9-14(12)21-18(13)19/h4-7,9,21H,8H2,1-3H3.
What are the key properties of 3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole?
3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole has a molecular weight of 385.26 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-methoxy-6,6-dimethyl-7-nitroso-5,11-dihydrobenzo[b]carbazole is sourced from PubChem (CID 134375514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).