(1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene

C27H24 — CID 159807996

IUPAC(1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene
SMILESCc1ccc2ccc(C)c3c2c1[C@H](c1ccccc1)C[C@H]3c1ccccc1
InChIInChI=1S/C27H24/c1-18-13-15-22-16-14-19(2)26-24(21-11-7-4-8-12-21)17-23(25(18)27(22)26)20-9-5-3-6-10-20/h3-16,23-24H,17H2,1-2H3/t23-,24-/m0/s1
InChIKeyLVBBXNAVDOJPIF-ZEQRLZLVSA-N
MW348.49 g/mol
LogP7.12
Rot. Bonds2

About (1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene

(1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene (PubChem CID 159807996) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is (1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene.

Molecular Properties

Compound Name(1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene
PubChem CID159807996
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name(1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene
SMILESCc1ccc2ccc(C)c3c2c1[C@H](c1ccccc1)C[C@H]3c1ccccc1
InChIInChI=1S/C27H24/c1-18-13-15-22-16-14-19(2)26-24(21-11-7-4-8-12-21)17-23(25(18)27(22)26)20-9-5-3-6-10-20/h3-16,23-24H,17H2,1-2H3/t23-,24-/m0/s1
InChIKeyLVBBXNAVDOJPIF-ZEQRLZLVSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-hydroxy-4,9-dimethyl-1-(5-methylcyclohepta-1,3,6-trien-1-yl)-3-phenyl-1,3-dihydrobenzo[de]isoquinoline
CID 123815597
2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
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CID 174464566
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ethane;(2S)-2-phenylaziridine
CID 145185749
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CID 144689854
4,7-dimethyl-1-phenyl-1H-indene
CID 86724422
3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene
CID 3717788
(1R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 163676750

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene?
The IUPAC name of (1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene (CID 159807996) is (1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene.
What is the SMILES notation for (1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene?
The canonical SMILES for (1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene is Cc1ccc2ccc(C)c3c2c1[C@H](c1ccccc1)C[C@H]3c1ccccc1.
What is the InChIKey of (1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene?
The InChIKey is LVBBXNAVDOJPIF-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H24/c1-18-13-15-22-16-14-19(2)26-24(21-11-7-4-8-12-21)17-23(25(18)27(22)26)20-9-5-3-6-10-20/h3-16,23-24H,17H2,1-2H3/t23-,24-/m0/s1.
What are the key properties of (1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene?
(1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene has a molecular weight of 348.49 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-4,9-dimethyl-1,3-diphenyl-2,3-dihydro-1H-phenalene is sourced from PubChem (CID 159807996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).