9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole

C25H20N2 — CID 142355676

IUPAC9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole
SMILESC=C1/C=C\C=C/N(c2ccc3c(c2)c2ccccc2n3C)c2ccccc21
InChIInChI=1S/C25H20N2/c1-18-9-7-8-16-27(25-13-6-3-10-20(18)25)19-14-15-24-22(17-19)21-11-4-5-12-23(21)26(24)2/h3-17H,1H2,2H3/b9-7-,16-8-
InChIKeyYBBGDZIEPCZTOS-BIHOSGGPSA-N
MW348.45 g/mol
LogP6.57
Rot. Bonds1

About 9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole

9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole (PubChem CID 142355676) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole
PubChem CID142355676
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole
SMILESC=C1/C=C\C=C/N(c2ccc3c(c2)c2ccccc2n3C)c2ccccc21
InChIInChI=1S/C25H20N2/c1-18-9-7-8-16-27(25-13-6-3-10-20(18)25)19-14-15-24-22(17-19)21-11-4-5-12-23(21)26(24)2/h3-17H,1H2,2H3/b9-7-,16-8-
InChIKeyYBBGDZIEPCZTOS-BIHOSGGPSA-N
XLogP6.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2Z,4Z)-6-methylidene-1-phenyl-1-benzazocin-8-yl]-9-phenylcarbazole
CID 156643406
(4Z,6Z)-19-methyl-8-methylidene-3-phenyl-3,19-diazatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene
CID 144511930
9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine
CID 129301076
9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 167043312
ethane;6-[2-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 176936679
3-[(2Z,4Z)-1-(9,9-dimethylfluoren-1-yl)-6-methylidene-1-benzazocin-8-yl]-9-phenylcarbazole;ethane
CID 145299461
3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole
CID 129022065
(2Z,4Z)-1-ethyl-6-methylidene-1-benzazocine
CID 145396751
9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 144578956
9-[(Z)-but-1-enyl]-12-[(2Z,4Z)-6-methylidene-1-triphenylen-2-yl-1-benzazocin-8-yl]-8-azoniatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,8,10,12-heptaene;ethane
CID 172603884
9-methyl-3-pyrrolidin-1-ylcarbazole
CID 123822276
ethane;bis(9-methylcarbazole)
CID 159710949

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole?
The IUPAC name of 9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole (CID 142355676) is 9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole.
What is the SMILES notation for 9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole?
The canonical SMILES for 9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole is C=C1/C=C\C=C/N(c2ccc3c(c2)c2ccccc2n3C)c2ccccc21.
What is the InChIKey of 9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole?
The InChIKey is YBBGDZIEPCZTOS-BIHOSGGPSA-N. The full InChI is InChI=1S/C25H20N2/c1-18-9-7-8-16-27(25-13-6-3-10-20(18)25)19-14-15-24-22(17-19)21-11-4-5-12-23(21)26(24)2/h3-17H,1H2,2H3/b9-7-,16-8-.
What are the key properties of 9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole?
9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole has a molecular weight of 348.45 g/mol, XLogP of 6.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]carbazole is sourced from PubChem (CID 142355676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).