6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C55H51Cl4FN6 — CID 157259926

IUPAC6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1.Clc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1.Fc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1
InChIInChI=1S/C19H19ClN2.C18H16Cl2N2.C18H16ClFN2/c1-12-5-8-14(9-6-12)21-18-4-2-3-15-16-11-13(20)7-10-17(16)22-19(15)18;19-11-4-7-13(8-5-11)21-17-3-1-2-14-15-10-12(20)6-9-16(15)22-18(14)17;19-11-4-9-16-15(10-11)14-2-1-3-17(18(14)22-16)21-13-7-5-12(20)6-8-13/h5-11,18,21-22H,2-4H2,1H3;2*4-10,17,21-22H,1-3H2
InChIKeyAXIJEEFXJVDENT-UHFFFAOYSA-N
MW956.87 g/mol
LogP17.03
Rot. Bonds6

About 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 157259926) has the molecular formula C55H51Cl4FN6 and a molecular weight of 956.87 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID157259926
Molecular FormulaC55H51Cl4FN6
Molecular Weight956.87 g/mol
Exact Mass954.29
IUPAC Name6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1.Clc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1.Fc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1
InChIInChI=1S/C19H19ClN2.C18H16Cl2N2.C18H16ClFN2/c1-12-5-8-14(9-6-12)21-18-4-2-3-15-16-11-13(20)7-10-17(16)22-19(15)18;19-11-4-7-13(8-5-11)21-17-3-1-2-14-15-10-12(20)6-9-16(15)22-18(14)17;19-11-4-9-16-15(10-11)14-2-1-3-17(18(14)22-16)21-13-7-5-12(20)6-8-13/h5-11,18,21-22H,2-4H2,1H3;2*4-10,17,21-22H,1-3H2
InChIKeyAXIJEEFXJVDENT-UHFFFAOYSA-N
XLogP17.03
TPSA83.46 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500956.87
LogP ≤ 517.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine with MolForge

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Related Compounds

6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65332691
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-amine
CID 59014653
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 68927585
7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 84628008
(1S)-N-cyclohexyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 753921
6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 15633401
(4-chlorophenyl)methyl-[(1R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
CID 7047389
methyl 8-anilino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 159619714
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97425894
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7074070
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
CID 14197121

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 157259926) is 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Cc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1.Clc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1.Fc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is AXIJEEFXJVDENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2.C18H16Cl2N2.C18H16ClFN2/c1-12-5-8-14(9-6-12)21-18-4-2-3-15-16-11-13(20)7-10-17(16)22-19(15)18;19-11-4-7-13(8-5-11)21-17-3-1-2-14-15-10-12(20)6-9-16(15)22-18(14)17;19-11-4-9-16-15(10-11)14-2-1-3-17(18(14)22-16)21-13-7-5-12(20)6-8-13/h5-11,18,21-22H,2-4H2,1H3;2*4-10,17,21-22H,1-3H2.
What are the key properties of 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 956.87 g/mol, XLogP of 17.03, 6 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 157259926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).