(2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene

C35H34 — CID 142141320

IUPAC(2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene
SMILESCC1C=C2CC(C)(c3ccccc3)C=C(C3c4ccccc4C=C(c4ccccc4)[C@H]3C)C2=CC1
InChIInChI=1S/C35H34/c1-24-18-19-30-28(20-24)22-35(3,29-15-8-5-9-16-29)23-33(30)34-25(2)32(26-12-6-4-7-13-26)21-27-14-10-11-17-31(27)34/h4-17,19-21,23-25,34H,18,22H2,1-3H3/t24?,25-,34?,35?/m1/s1
InChIKeyCQCUGVMBHRSUKM-KNOLRQAXSA-N
MW454.66 g/mol
LogP9.14
Rot. Bonds3

About (2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene

(2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene (PubChem CID 142141320) has the molecular formula C35H34 and a molecular weight of 454.66 g/mol. Its IUPAC name is (2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name(2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene
PubChem CID142141320
Molecular FormulaC35H34
Molecular Weight454.66 g/mol
Exact Mass454.27
IUPAC Name(2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene
SMILESCC1C=C2CC(C)(c3ccccc3)C=C(C3c4ccccc4C=C(c4ccccc4)[C@H]3C)C2=CC1
InChIInChI=1S/C35H34/c1-24-18-19-30-28(20-24)22-35(3,29-15-8-5-9-16-29)23-33(30)34-25(2)32(26-12-6-4-7-13-26)21-27-14-10-11-17-31(27)34/h4-17,19-21,23-25,34H,18,22H2,1-3H3/t24?,25-,34?,35?/m1/s1
InChIKeyCQCUGVMBHRSUKM-KNOLRQAXSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene?
The IUPAC name of (2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene (CID 142141320) is (2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene.
What is the SMILES notation for (2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene?
The canonical SMILES for (2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene is CC1C=C2CC(C)(c3ccccc3)C=C(C3c4ccccc4C=C(c4ccccc4)[C@H]3C)C2=CC1.
What is the InChIKey of (2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene?
The InChIKey is CQCUGVMBHRSUKM-KNOLRQAXSA-N. The full InChI is InChI=1S/C35H34/c1-24-18-19-30-28(20-24)22-35(3,29-15-8-5-9-16-29)23-33(30)34-25(2)32(26-12-6-4-7-13-26)21-27-14-10-11-17-31(27)34/h4-17,19-21,23-25,34H,18,22H2,1-3H3/t24?,25-,34?,35?/m1/s1.
What are the key properties of (2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene?
(2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene has a molecular weight of 454.66 g/mol, XLogP of 9.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,6-dimethyl-3-phenyl-6,7-dihydro-4H-naphthalen-1-yl)-2-methyl-3-phenyl-1,2-dihydronaphthalene is sourced from PubChem (CID 142141320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).