7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene

C54H48N2S — CID 145390570

IUPAC7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
SMILESC=CCCc1c(C)sc2nc(-c3cccc(-c4ccccc4)c3)c(C)nc12.Cc1ccccc1-c1c(C)c(C)c(-c2c(C)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C30H26.C24H22N2S/c1-19-11-5-7-13-24(19)29-21(3)22(4)30(27-16-10-9-15-26(27)29)28-20(2)17-18-23-12-6-8-14-25(23)28;1-4-5-14-21-17(3)27-24-23(21)25-16(2)22(26-24)20-13-9-12-19(15-20)18-10-7-6-8-11-18/h5-18H,1-4H3;4,6-13,15H,1,5,14H2,2-3H3
InChIKeyRCLOIGNKLTZCEM-UHFFFAOYSA-N
MW757.06 g/mol
LogP15.32
Rot. Bonds7

About 7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene

7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene (PubChem CID 145390570) has the molecular formula C54H48N2S and a molecular weight of 757.06 g/mol. Its IUPAC name is 7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene.

Molecular Properties

Compound Name7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
PubChem CID145390570
Molecular FormulaC54H48N2S
Molecular Weight757.06 g/mol
Exact Mass756.35
IUPAC Name7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
SMILESC=CCCc1c(C)sc2nc(-c3cccc(-c4ccccc4)c3)c(C)nc12.Cc1ccccc1-c1c(C)c(C)c(-c2c(C)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C30H26.C24H22N2S/c1-19-11-5-7-13-24(19)29-21(3)22(4)30(27-16-10-9-15-26(27)29)28-20(2)17-18-23-12-6-8-14-25(23)28;1-4-5-14-21-17(3)27-24-23(21)25-16(2)22(26-24)20-13-9-12-19(15-20)18-10-7-6-8-11-18/h5-18H,1-4H3;4,6-13,15H,1,5,14H2,2-3H3
InChIKeyRCLOIGNKLTZCEM-UHFFFAOYSA-N
XLogP15.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.06
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
CID 145390572
10-methyl-9-(2-methyl-5-phenylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;2-methyl-3-phenylphenanthro[9,10-b]pyrazine
CID 145390654
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline
CID 158212750
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
CID 59171668
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine
CID 146369049

Frequently Asked Questions

What is the IUPAC name of 7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene?
The IUPAC name of 7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene (CID 145390570) is 7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene.
What is the SMILES notation for 7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene?
The canonical SMILES for 7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene is C=CCCc1c(C)sc2nc(-c3cccc(-c4ccccc4)c3)c(C)nc12.Cc1ccccc1-c1c(C)c(C)c(-c2c(C)ccc3ccccc23)c2ccccc12.
What is the InChIKey of 7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene?
The InChIKey is RCLOIGNKLTZCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26.C24H22N2S/c1-19-11-5-7-13-24(19)29-21(3)22(4)30(27-16-10-9-15-26(27)29)28-20(2)17-18-23-12-6-8-14-25(23)28;1-4-5-14-21-17(3)27-24-23(21)25-16(2)22(26-24)20-13-9-12-19(15-20)18-10-7-6-8-11-18/h5-18H,1-4H3;4,6-13,15H,1,5,14H2,2-3H3.
What are the key properties of 7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene?
7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene has a molecular weight of 757.06 g/mol, XLogP of 15.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-enyl-2,6-dimethyl-3-(3-phenylphenyl)thieno[2,3-b]pyrazine;2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene is sourced from PubChem (CID 145390570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).