(4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole

C22H25N — CID 164683018

IUPAC(4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3c(c2c1)[C@H](c1ccccc1)CCC3
InChIInChI=1S/C22H25N/c1-22(2,3)16-12-13-19-18(14-16)21-17(10-7-11-20(21)23-19)15-8-5-4-6-9-15/h4-6,8-9,12-14,17,23H,7,10-11H2,1-3H3/t17-/m0/s1
InChIKeyRUSQQRQRCSGQBI-KRWDZBQOSA-N
MW303.45 g/mol
LogP5.93
Rot. Bonds1

About (4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole

(4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 164683018) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is (4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name(4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID164683018
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name(4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3c(c2c1)[C@H](c1ccccc1)CCC3
InChIInChI=1S/C22H25N/c1-22(2,3)16-12-13-19-18(14-16)21-17(10-7-11-20(21)23-19)15-8-5-4-6-9-15/h4-6,8-9,12-14,17,23H,7,10-11H2,1-3H3/t17-/m0/s1
InChIKeyRUSQQRQRCSGQBI-KRWDZBQOSA-N
XLogP5.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 6854
CID 6854
CID 9134
CID 9134
CID 7224
CID 7224
CID 4350931
CID 4350931
CID 7053
CID 7053
CID 13698
CID 13698
CID 160510
CID 160510
CID 4402318
CID 4402318
CID 2954
CID 2954
CID 77020
CID 77020
CID 4722579
CID 4722579
CID 9196
CID 9196

Frequently Asked Questions

What is the IUPAC name of (4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of (4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole (CID 164683018) is (4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for (4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for (4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole is CC(C)(C)c1ccc2[nH]c3c(c2c1)[C@H](c1ccccc1)CCC3.
What is the InChIKey of (4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is RUSQQRQRCSGQBI-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N/c1-22(2,3)16-12-13-19-18(14-16)21-17(10-7-11-20(21)23-19)15-8-5-4-6-9-15/h4-6,8-9,12-14,17,23H,7,10-11H2,1-3H3/t17-/m0/s1.
What are the key properties of (4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole?
(4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 303.45 g/mol, XLogP of 5.93, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-tert-butyl-4-phenyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 164683018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).