(3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine

C29H28N2 — CID 143579710

IUPAC(3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine
SMILESCc1cc(N2C/C=C\C=C/Cc3ccccc32)cc(-n2c(C)c(C)c3ccccc32)c1
InChIInChI=1S/C29H28N2/c1-21-18-25(30-17-11-5-4-6-12-24-13-7-9-15-28(24)30)20-26(19-21)31-23(3)22(2)27-14-8-10-16-29(27)31/h4-11,13-16,18-20H,12,17H2,1-3H3/b6-4-,11-5-
InChIKeyGJAZHWQMAWOBCB-XYWMJVGXSA-N
MW404.56 g/mol
LogP7.36
Rot. Bonds2

About (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine

(3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine (PubChem CID 143579710) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine.

Molecular Properties

Compound Name(3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine
PubChem CID143579710
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC Name(3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine
SMILESCc1cc(N2C/C=C\C=C/Cc3ccccc32)cc(-n2c(C)c(C)c3ccccc32)c1
InChIInChI=1S/C29H28N2/c1-21-18-25(30-17-11-5-4-6-12-24-13-7-9-15-28(24)30)20-26(19-21)31-23(3)22(2)27-14-8-10-16-29(27)31/h4-11,13-16,18-20H,12,17H2,1-3H3/b6-4-,11-5-
InChIKeyGJAZHWQMAWOBCB-XYWMJVGXSA-N
XLogP7.36
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine with MolForge

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Related Compounds

5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole
CID 129084472
1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole
CID 155244032
1-(3,5-dimethylphenyl)-2,3-dihydroindole
CID 91512599
1-(3-bromophenyl)-2,3-dimethylindole
CID 146003926
2-[(3Z,5Z)-7-methyl-1-(4-methylphenyl)-2,7-dihydro-1-benzazonin-10-yl]-9-(4-propan-2-ylphenyl)carbazole
CID 145189979
9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166865007
9-(3-carbazol-9-yl-5-methylphenyl)-3,6-diphenylcarbazole
CID 145158092
2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline
CID 147735698
5-(3,5-dimethylphenyl)-6,11-dihydrocyclohepta[c]quinoline
CID 143515929
4-(3,5-dimethylphenyl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 58028341
2,3-dimethyl-1-phenylindole-5-thiol
CID 143543300
3-carbazol-9-yl-10-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-15-(3-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137680

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine?
The IUPAC name of (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine (CID 143579710) is (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine.
What is the SMILES notation for (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine?
The canonical SMILES for (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine is Cc1cc(N2C/C=C\C=C/Cc3ccccc32)cc(-n2c(C)c(C)c3ccccc32)c1.
What is the InChIKey of (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine?
The InChIKey is GJAZHWQMAWOBCB-XYWMJVGXSA-N. The full InChI is InChI=1S/C29H28N2/c1-21-18-25(30-17-11-5-4-6-12-24-13-7-9-15-28(24)30)20-26(19-21)31-23(3)22(2)27-14-8-10-16-29(27)31/h4-11,13-16,18-20H,12,17H2,1-3H3/b6-4-,11-5-.
What are the key properties of (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine?
(3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine has a molecular weight of 404.56 g/mol, XLogP of 7.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-[3-(2,3-dimethylindol-1-yl)-5-methylphenyl]-2,7-dihydro-1-benzazonine is sourced from PubChem (CID 143579710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).