9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene

C16H14N2 — CID 122427041

IUPAC9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
SMILESCCc1nc2c(C)ccc3c4ccccc4n1c23
InChIInChI=1S/C16H14N2/c1-3-14-17-15-10(2)8-9-12-11-6-4-5-7-13(11)18(14)16(12)15/h4-9H,3H2,1-2H3
InChIKeySFCURBZVFWUVRS-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.95
Rot. Bonds1

About 9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene

9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene (PubChem CID 122427041) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene.

Molecular Properties

Compound Name9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
PubChem CID122427041
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
SMILESCCc1nc2c(C)ccc3c4ccccc4n1c23
InChIInChI=1S/C16H14N2/c1-3-14-17-15-10(2)8-9-12-11-6-4-5-7-13(11)18(14)16(12)15/h4-9H,3H2,1-2H3
InChIKeySFCURBZVFWUVRS-UHFFFAOYSA-N
XLogP3.95
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethyl-12-(10-phenylanthracen-9-yl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
CID 122427011
carbazol-9-yl(triethyl)silane
CID 102235199
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
4-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;13-(9,10-diphenylanthracen-2-yl)-9-ethyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene;4-(9,10-diphenylanthracen-2-yl)-9-phenyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,9,11,13-heptaene;9-ethyl-13-(4-naphthalen-2-ylphenyl)-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
CID 158288601
1,2-diethyl-9-methylcarbazole
CID 174753838
12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide
CID 122486655
ethane;1,2,9-trimethylcarbazole
CID 160838686
25-methyl-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811096
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
11-propan-2-ylbenzo[a]carbazole
CID 118058944
4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline
CID 102501781

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?
The IUPAC name of 9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene (CID 122427041) is 9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene.
What is the SMILES notation for 9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?
The canonical SMILES for 9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene is CCc1nc2c(C)ccc3c4ccccc4n1c23.
What is the InChIKey of 9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?
The InChIKey is SFCURBZVFWUVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-14-17-15-10(2)8-9-12-11-6-4-5-7-13(11)18(14)16(12)15/h4-9H,3H2,1-2H3.
What are the key properties of 9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene?
9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene has a molecular weight of 234.30 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene is sourced from PubChem (CID 122427041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).