(2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene

C33H25N3 — CID 155807475

IUPAC(2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene
SMILESc1ccc2c(c1)C[C@@H](c1c[nH]c3ccccc13)c1[nH]c3ccccc3c1[C@H]2c1c[nH]c2ccccc12
InChIInChI=1S/C33H25N3/c1-2-10-21-20(9-1)17-25(26-18-34-28-14-6-3-11-22(26)28)33-32(24-13-5-8-16-30(24)36-33)31(21)27-19-35-29-15-7-4-12-23(27)29/h1-16,18-19,25,31,34-36H,17H2/t25-,31+/m0/s1
InChIKeyHJULMDYKJGGEMS-VVFBEHOQSA-N
MW463.58 g/mol
LogP8.00
Rot. Bonds2

About (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene

(2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene (PubChem CID 155807475) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene.

Molecular Properties

Compound Name(2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene
PubChem CID155807475
Molecular FormulaC33H25N3
Molecular Weight463.58 g/mol
Exact Mass463.20
IUPAC Name(2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene
SMILESc1ccc2c(c1)C[C@@H](c1c[nH]c3ccccc13)c1[nH]c3ccccc3c1[C@H]2c1c[nH]c2ccccc12
InChIInChI=1S/C33H25N3/c1-2-10-21-20(9-1)17-25(26-18-34-28-14-6-3-11-22(26)28)33-32(24-13-5-8-16-30(24)36-33)31(21)27-19-35-29-15-7-4-12-23(27)29/h1-16,18-19,25,31,34-36H,17H2/t25-,31+/m0/s1
InChIKeyHJULMDYKJGGEMS-VVFBEHOQSA-N
XLogP8.00
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 58.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Analyze (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene?
The IUPAC name of (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene (CID 155807475) is (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene.
What is the SMILES notation for (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene?
The canonical SMILES for (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene is c1ccc2c(c1)C[C@@H](c1c[nH]c3ccccc13)c1[nH]c3ccccc3c1[C@H]2c1c[nH]c2ccccc12.
What is the InChIKey of (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene?
The InChIKey is HJULMDYKJGGEMS-VVFBEHOQSA-N. The full InChI is InChI=1S/C33H25N3/c1-2-10-21-20(9-1)17-25(26-18-34-28-14-6-3-11-22(26)28)33-32(24-13-5-8-16-30(24)36-33)31(21)27-19-35-29-15-7-4-12-23(27)29/h1-16,18-19,25,31,34-36H,17H2/t25-,31+/m0/s1.
What are the key properties of (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene?
(2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene has a molecular weight of 463.58 g/mol, XLogP of 8.00, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10S)-2,10-bis(1H-indol-3-yl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaene is sourced from PubChem (CID 155807475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).