(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

C25H20N2 — CID 144511930

IUPAC(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
SMILESC=C1/C=C\C=C/N(c2ccccc2)c2c1ccc1c3ccccc3n(C)c21
InChIInChI=1S/C25H20N2/c1-18-10-8-9-17-27(19-11-4-3-5-12-19)25-20(18)15-16-22-21-13-6-7-14-23(21)26(2)24(22)25/h3-17H,1H2,2H3/b10-8-,17-9-
InChIKeyRQFYMVCUJGZEGI-OFEBMFTOSA-N
MW348.45 g/mol
LogP6.57
Rot. Bonds1

About (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

(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 (PubChem CID 144511930) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID144511930
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name(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
SMILESC=C1/C=C\C=C/N(c2ccccc2)c2c1ccc1c3ccccc3n(C)c21
InChIInChI=1S/C25H20N2/c1-18-10-8-9-17-27(19-11-4-3-5-12-19)25-20(18)15-16-22-21-13-6-7-14-23(21)26(2)24(22)25/h3-17H,1H2,2H3/b10-8-,17-9-
InChIKeyRQFYMVCUJGZEGI-OFEBMFTOSA-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

Analyze (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 with MolForge

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Related Compounds

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CID 156643406
1-fluoro-9-methylcarbazole
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CID 147424004
CID 144752924
CID 144752924
3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole
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4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline
CID 118944227
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
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CID 163978130
3-methyl-14-phenyl-3,14-diazapentacyclo[11.9.0.02,10.04,9.015,20]docosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 145449554
3-[(2Z,4Z)-1-(9,9-dimethylfluoren-1-yl)-6-methylidene-1-benzazocin-8-yl]-9-phenylcarbazole;ethane
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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C1/C=C\C=C/N(c2ccccc2)c2c1ccc1c3ccccc3n(C)c21.
What is the InChIKey of (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?
The InChIKey is RQFYMVCUJGZEGI-OFEBMFTOSA-N. The full InChI is InChI=1S/C25H20N2/c1-18-10-8-9-17-27(19-11-4-3-5-12-19)25-20(18)15-16-22-21-13-6-7-14-23(21)26(2)24(22)25/h3-17H,1H2,2H3/b10-8-,17-9-.
What are the key properties of (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?
(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 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 (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 is sourced from PubChem (CID 144511930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).