2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole

C19H12Br2N2O2 — CID 134281193

IUPAC2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole
SMILESO=[N+]([O-])c1cccc(Cn2c3cc(Br)ccc3c3ccc(Br)cc32)c1
InChIInChI=1S/C19H12Br2N2O2/c20-13-4-6-16-17-7-5-14(21)10-19(17)22(18(16)9-13)11-12-2-1-3-15(8-12)23(24)25/h1-10H,11H2
InChIKeyYDLKGBFCYTZMJF-UHFFFAOYSA-N
MW460.13 g/mol
LogP6.28
Rot. Bonds3

About 2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole

2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole (PubChem CID 134281193) has the molecular formula C19H12Br2N2O2 and a molecular weight of 460.13 g/mol. Its IUPAC name is 2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole.

Molecular Properties

Compound Name2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole
PubChem CID134281193
Molecular FormulaC19H12Br2N2O2
Molecular Weight460.13 g/mol
Exact Mass457.93
IUPAC Name2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole
SMILESO=[N+]([O-])c1cccc(Cn2c3cc(Br)ccc3c3ccc(Br)cc32)c1
InChIInChI=1S/C19H12Br2N2O2/c20-13-4-6-16-17-7-5-14(21)10-19(17)22(18(16)9-13)11-12-2-1-3-15(8-12)23(24)25/h1-10H,11H2
InChIKeyYDLKGBFCYTZMJF-UHFFFAOYSA-N
XLogP6.28
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.13
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3-nitrophenyl)methyl]pyrrole-2,5-diol
CID 90709675
9-benzyl-3,6-dinitrocarbazole
CID 5059102
1-bromo-3-nitrobenzene;zinc
CID 159421870
1-[(4-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium
CID 4755192
2-methyl-1-[(3-nitrophenyl)methyl]benzimidazole
CID 78906418
9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457101
3-bromo-1-[(3-nitrophenyl)methyl]indazol-5-ol
CID 110169633
6-(4-bromophenyl)-2-[(3-nitrophenyl)methyl]pyridazin-3-one
CID 7663565
3-bromo-5-methyl-1-[(3-nitrophenyl)methyl]pyrazole
CID 172847975
N-(4-bromophenyl)-1-[(3-nitrophenyl)methyl]piperidin-4-amine
CID 7346272
1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 83290800
4-bromo-2-fluoro-N-[(3-nitrophenyl)methyl]aniline
CID 28574693

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole?
The IUPAC name of 2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole (CID 134281193) is 2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole.
What is the SMILES notation for 2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole?
The canonical SMILES for 2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole is O=[N+]([O-])c1cccc(Cn2c3cc(Br)ccc3c3ccc(Br)cc32)c1.
What is the InChIKey of 2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole?
The InChIKey is YDLKGBFCYTZMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2N2O2/c20-13-4-6-16-17-7-5-14(21)10-19(17)22(18(16)9-13)11-12-2-1-3-15(8-12)23(24)25/h1-10H,11H2.
What are the key properties of 2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole?
2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole has a molecular weight of 460.13 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-[(3-nitrophenyl)methyl]carbazole is sourced from PubChem (CID 134281193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).