(2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole

C23H18BrN — CID 126739228

IUPAC(2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole
SMILESC[C@H]1C=Cc2c(n(-c3ccc4ccccc4c3)c3cc(Br)ccc23)C1
InChIInChI=1S/C23H18BrN/c1-15-6-10-20-21-11-8-18(24)14-23(21)25(22(20)12-15)19-9-7-16-4-2-3-5-17(16)13-19/h2-11,13-15H,12H2,1H3/t15-/m0/s1
InChIKeyMPECQONRGAPCTJ-HNNXBMFYSA-N
MW388.31 g/mol
LogP6.75
Rot. Bonds1

About (2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole

(2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole (PubChem CID 126739228) has the molecular formula C23H18BrN and a molecular weight of 388.31 g/mol. Its IUPAC name is (2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name(2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole
PubChem CID126739228
Molecular FormulaC23H18BrN
Molecular Weight388.31 g/mol
Exact Mass387.06
IUPAC Name(2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole
SMILESC[C@H]1C=Cc2c(n(-c3ccc4ccccc4c3)c3cc(Br)ccc23)C1
InChIInChI=1S/C23H18BrN/c1-15-6-10-20-21-11-8-18(24)14-23(21)25(22(20)12-15)19-9-7-16-4-2-3-5-17(16)13-19/h2-11,13-15H,12H2,1H3/t15-/m0/s1
InChIKeyMPECQONRGAPCTJ-HNNXBMFYSA-N
XLogP6.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole?
The IUPAC name of (2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole (CID 126739228) is (2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole.
What is the SMILES notation for (2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole?
The canonical SMILES for (2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole is C[C@H]1C=Cc2c(n(-c3ccc4ccccc4c3)c3cc(Br)ccc23)C1.
What is the InChIKey of (2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole?
The InChIKey is MPECQONRGAPCTJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H18BrN/c1-15-6-10-20-21-11-8-18(24)14-23(21)25(22(20)12-15)19-9-7-16-4-2-3-5-17(16)13-19/h2-11,13-15H,12H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole?
(2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole has a molecular weight of 388.31 g/mol, XLogP of 6.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole is sourced from PubChem (CID 126739228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).