2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene

C18H15N — CID 18715259

IUPAC2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
SMILESC=C1c2ccccc2CCc2c1[nH]c1ccccc21
InChIInChI=1S/C18H15N/c1-12-14-7-3-2-6-13(14)10-11-16-15-8-4-5-9-17(15)19-18(12)16/h2-9,19H,1,10-11H2
InChIKeyOUIGSLXKVZVMQL-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.33
Rot. Bonds

About 2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene

2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene (PubChem CID 18715259) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene.

Molecular Properties

Compound Name2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
PubChem CID18715259
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Name2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
SMILESC=C1c2ccccc2CCc2c1[nH]c1ccccc21
InChIInChI=1S/C18H15N/c1-12-14-7-3-2-6-13(14)10-11-16-15-8-4-5-9-17(15)19-18(12)16/h2-9,19H,1,10-11H2
InChIKeyOUIGSLXKVZVMQL-UHFFFAOYSA-N
XLogP4.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
CID 67755947
2,5,27-triazaheptacyclo[15.11.0.03,15.04,12.06,11.020,28.021,26]octacosa-1,3(15),4(12),6,8,10,16,20(28),21,23,25-undecaene
CID 14318406
5,10-dihydroindeno[1,2-b]indole;ethane
CID 143208166
1-phenyl-5,10-dihydro-4H-pyrazolo[5,4-a]carbazole
CID 876853
methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
CID 154810461
9H-carbazole;bis(9H-fluorene)
CID 158703465
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 135242913
5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole
CID 762988
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
9,10-dihydrophenanthrene;phenanthrene
CID 159340402

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene?
The IUPAC name of 2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene (CID 18715259) is 2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene.
What is the SMILES notation for 2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene?
The canonical SMILES for 2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene is C=C1c2ccccc2CCc2c1[nH]c1ccccc21.
What is the InChIKey of 2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene?
The InChIKey is OUIGSLXKVZVMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-12-14-7-3-2-6-13(14)10-11-16-15-8-4-5-9-17(15)19-18(12)16/h2-9,19H,1,10-11H2.
What are the key properties of 2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene?
2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene has a molecular weight of 245.33 g/mol, XLogP of 4.33, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene is sourced from PubChem (CID 18715259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).