9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine

C26H27N — CID 145352144

IUPAC9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine
SMILESCc1ccc(C2=C(c3ccccc3C)CCC(C)c3cc(N)ccc32)cc1
InChIInChI=1S/C26H27N/c1-17-8-11-20(12-9-17)26-23(22-7-5-4-6-18(22)2)14-10-19(3)25-16-21(27)13-15-24(25)26/h4-9,11-13,15-16,19H,10,14,27H2,1-3H3
InChIKeyISWURFCNRPUKSM-UHFFFAOYSA-N
MW353.51 g/mol
LogP6.74
Rot. Bonds2

About 9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine

9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine (PubChem CID 145352144) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is 9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine.

Molecular Properties

Compound Name9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine
PubChem CID145352144
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine
SMILESCc1ccc(C2=C(c3ccccc3C)CCC(C)c3cc(N)ccc32)cc1
InChIInChI=1S/C26H27N/c1-17-8-11-20(12-9-17)26-23(22-7-5-4-6-18(22)2)14-10-19(3)25-16-21(27)13-15-24(25)26/h4-9,11-13,15-16,19H,10,14,27H2,1-3H3
InChIKeyISWURFCNRPUKSM-UHFFFAOYSA-N
XLogP6.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8R)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 57293578
6-bromo-2,7-dimethyl-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene
CID 163263003
6-(2,3-dimethylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine;1-fluorobutane;3-methylhexane
CID 145352324
9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene
CID 144612902
3-(3,4-dimethylphenyl)-4-[2-(3,4-dimethylphenyl)phenyl]aniline
CID 66719002
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
3-[4-[6-(2,4-dimethylphenyl)-2-(2-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenoxy]-1-(3-fluoropropyl)pyrrolidine
CID 156716247
1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 144785199
3-[2-(2-methylphenyl)phenyl]aniline
CID 174293524
4-(9-methyl-9H-fluoren-2-yl)aniline
CID 58384009
4-amino-2-(2-methylphenyl)benzonitrile
CID 70133478
6-(2,4-dimethylphenyl)-5-[4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulen-2-amine
CID 156716327

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine?
The IUPAC name of 9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine (CID 145352144) is 9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine.
What is the SMILES notation for 9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine?
The canonical SMILES for 9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine is Cc1ccc(C2=C(c3ccccc3C)CCC(C)c3cc(N)ccc32)cc1.
What is the InChIKey of 9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine?
The InChIKey is ISWURFCNRPUKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N/c1-17-8-11-20(12-9-17)26-23(22-7-5-4-6-18(22)2)14-10-19(3)25-16-21(27)13-15-24(25)26/h4-9,11-13,15-16,19H,10,14,27H2,1-3H3.
What are the key properties of 9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine?
9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine has a molecular weight of 353.51 g/mol, XLogP of 6.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine is sourced from PubChem (CID 145352144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).