(2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile

C24H18N2 — CID 101394519

IUPAC(2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile
SMILESN#C[C@@H]1C(c2ccccc2)c2ccccc2C(c2ccccc2)[C@H]1C#N
InChIInChI=1S/C24H18N2/c25-15-21-22(16-26)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)23(21)17-9-3-1-4-10-17/h1-14,21-24H/t21-,22-,23?,24?/m0/s1
InChIKeyZDGMBTUJRMIATG-WOLZVPSQSA-N
MW334.42 g/mol
LogP5.24
Rot. Bonds2

About (2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile

(2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile (PubChem CID 101394519) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name(2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile
PubChem CID101394519
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name(2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile
SMILESN#C[C@@H]1C(c2ccccc2)c2ccccc2C(c2ccccc2)[C@H]1C#N
InChIInChI=1S/C24H18N2/c25-15-21-22(16-26)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)23(21)17-9-3-1-4-10-17/h1-14,21-24H/t21-,22-,23?,24?/m0/s1
InChIKeyZDGMBTUJRMIATG-WOLZVPSQSA-N
XLogP5.24
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S)-1,3-diphenyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70130242
(1R,8S,9S,12S)-8-chlorotricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-12-carbonitrile
CID 131507927
(3R,4R,5R,6S)-3-phenyl-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene-4,5-dicarbonitrile
CID 53388452
(3R,4R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidine-4-carbonitrile
CID 101455931
(2R,3R)-3-phenylaziridine-2-carbonitrile
CID 13181977
trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile
CID 6427548
(2S,5R,9R,10S)-10-phenyl-7-oxatetracyclo[9.4.0.02,5.05,9]pentadeca-1(15),3,11,13-tetraene-4-carbonitrile
CID 101179609
9,10-dihydrophenanthrene-9,10-dicarbonitrile
CID 13028861
1-ethyl-2,3-diphenyl-2,3-dihydro-1H-indene
CID 57262344
(1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 102284055
4-chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalene
CID 63821012
16-phenyl-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 11312637

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile?
The IUPAC name of (2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile (CID 101394519) is (2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile.
What is the SMILES notation for (2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile?
The canonical SMILES for (2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile is N#C[C@@H]1C(c2ccccc2)c2ccccc2C(c2ccccc2)[C@H]1C#N.
What is the InChIKey of (2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile?
The InChIKey is ZDGMBTUJRMIATG-WOLZVPSQSA-N. The full InChI is InChI=1S/C24H18N2/c25-15-21-22(16-26)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)23(21)17-9-3-1-4-10-17/h1-14,21-24H/t21-,22-,23?,24?/m0/s1.
What are the key properties of (2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile?
(2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile has a molecular weight of 334.42 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 101394519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).