(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole

C32H32N4 — CID 139181598

IUPAC(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)C[C@@H]([C@@H]1Cc3ccccc3N1)N2.c1ccc2c(c1)C[C@@H]([C@@H]1Cc3ccccc3N1)N2
InChIInChI=1S/2C16H16N2/c2*1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h2*1-8,15-18H,9-10H2/t2*15-,16-/m00/s1
InChIKeyXHAUQGKDGNGDPO-JSWJIAEGSA-N
MW472.64 g/mol
LogP6.12
Rot. Bonds2

About (2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole

(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole (PubChem CID 139181598) has the molecular formula C32H32N4 and a molecular weight of 472.64 g/mol. Its IUPAC name is (2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
PubChem CID139181598
Molecular FormulaC32H32N4
Molecular Weight472.64 g/mol
Exact Mass472.26
IUPAC Name(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)C[C@@H]([C@@H]1Cc3ccccc3N1)N2.c1ccc2c(c1)C[C@@H]([C@@H]1Cc3ccccc3N1)N2
InChIInChI=1S/2C16H16N2/c2*1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h2*1-8,15-18H,9-10H2/t2*15-,16-/m00/s1
InChIKeyXHAUQGKDGNGDPO-JSWJIAEGSA-N
XLogP6.12
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.64
LogP ≤ 56.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole
CID 91804990
2-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
CID 11031290
2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole
CID 91333420
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 135040904
cyclopropyl(2,3-dihydro-1H-indol-2-yl)methanol
CID 65041649
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline
CID 70937351
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole (CID 139181598) is (2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole is c1ccc2c(c1)C[C@@H]([C@@H]1Cc3ccccc3N1)N2.c1ccc2c(c1)C[C@@H]([C@@H]1Cc3ccccc3N1)N2.
What is the InChIKey of (2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole?
The InChIKey is XHAUQGKDGNGDPO-JSWJIAEGSA-N. The full InChI is InChI=1S/2C16H16N2/c2*1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h2*1-8,15-18H,9-10H2/t2*15-,16-/m00/s1.
What are the key properties of (2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole?
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole has a molecular weight of 472.64 g/mol, XLogP of 6.12, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 139181598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).