1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone

C32H27N3O2 — CID 127039517

IUPAC1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone
SMILESCC(=O)n1cc([C@@H]2CC[C@H](c3cn(C(C)=O)c4ccccc34)c3c2[nH]c2ccccc32)c2ccccc21
InChIInChI=1S/C32H27N3O2/c1-19(36)34-17-26(21-9-4-7-13-29(21)34)23-15-16-24(32-31(23)25-11-3-6-12-28(25)33-32)27-18-35(20(2)37)30-14-8-5-10-22(27)30/h3-14,17-18,23-24,33H,15-16H2,1-2H3/t23-,24+/m1/s1
InChIKeyDDMRZCMFCKGNLY-RPWUZVMVSA-N
MW485.59 g/mol
LogP7.46
Rot. Bonds2

About 1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone

1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone (PubChem CID 127039517) has the molecular formula C32H27N3O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone
PubChem CID127039517
Molecular FormulaC32H27N3O2
Molecular Weight485.59 g/mol
Exact Mass485.21
IUPAC Name1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone
SMILESCC(=O)n1cc([C@@H]2CC[C@H](c3cn(C(C)=O)c4ccccc34)c3c2[nH]c2ccccc32)c2ccccc21
InChIInChI=1S/C32H27N3O2/c1-19(36)34-17-26(21-9-4-7-13-29(21)34)23-15-16-24(32-31(23)25-11-3-6-12-28(25)33-32)27-18-35(20(2)37)30-14-8-5-10-22(27)30/h3-14,17-18,23-24,33H,15-16H2,1-2H3/t23-,24+/m1/s1
InChIKeyDDMRZCMFCKGNLY-RPWUZVMVSA-N
XLogP7.46
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone?
The IUPAC name of 1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone (CID 127039517) is 1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone?
The canonical SMILES for 1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone is CC(=O)n1cc([C@@H]2CC[C@H](c3cn(C(C)=O)c4ccccc34)c3c2[nH]c2ccccc32)c2ccccc21.
What is the InChIKey of 1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone?
The InChIKey is DDMRZCMFCKGNLY-RPWUZVMVSA-N. The full InChI is InChI=1S/C32H27N3O2/c1-19(36)34-17-26(21-9-4-7-13-29(21)34)23-15-16-24(32-31(23)25-11-3-6-12-28(25)33-32)27-18-35(20(2)37)30-14-8-5-10-22(27)30/h3-14,17-18,23-24,33H,15-16H2,1-2H3/t23-,24+/m1/s1.
What are the key properties of 1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone?
1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone has a molecular weight of 485.59 g/mol, XLogP of 7.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1S,4R)-1-(1-acetylindol-3-yl)-2,3,4,9-tetrahydro-1H-carbazol-4-yl]indol-1-yl]ethanone is sourced from PubChem (CID 127039517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).