3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene

C20H16N2 — CID 132577078

IUPAC3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene
SMILESCc1cn2c3ccccc3cc2c2c1c1ccccc1n2C
InChIInChI=1S/C20H16N2/c1-13-12-22-16-9-5-3-7-14(16)11-18(22)20-19(13)15-8-4-6-10-17(15)21(20)2/h3-12H,1-2H3
InChIKeyDBDFQMFEEVEDKM-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.05
Rot. Bonds

About 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene

3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene (PubChem CID 132577078) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene.

Molecular Properties

Compound Name3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene
PubChem CID132577078
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene
SMILESCc1cn2c3ccccc3cc2c2c1c1ccccc1n2C
InChIInChI=1S/C20H16N2/c1-13-12-22-16-9-5-3-7-14(16)11-18(22)20-19(13)15-8-4-6-10-17(15)21(20)2/h3-12H,1-2H3
InChIKeyDBDFQMFEEVEDKM-UHFFFAOYSA-N
XLogP5.05
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene with MolForge

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Related Compounds

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CID 158780062
5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
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5,6,7,12-tetramethylindolo[3,2-c]carbazole
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5,11-dimethylbenzo[a]carbazole
CID 58410472
2,4,9-trimethylcarbazole
CID 12613661
4,9-dimethyl-2-(4-methylphenyl)sulfonylpyrido[3,4-b]indol-1-one
CID 102516278
2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
CID 71620291
9-methyl-4-(1-methylindol-2-yl)carbazole
CID 13159227
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
2,3,4-trimethylpyrrolo[3,4-b]indole
CID 157487086
9,17,27-trimethyl-9,14,24-triazaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13(18),16,20,23(28),26-decaene-12,15,19,22,25,29-hexone
CID 11202896

Frequently Asked Questions

What is the IUPAC name of 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene?
The IUPAC name of 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene (CID 132577078) is 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene.
What is the SMILES notation for 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene?
The canonical SMILES for 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene is Cc1cn2c3ccccc3cc2c2c1c1ccccc1n2C.
What is the InChIKey of 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene?
The InChIKey is DBDFQMFEEVEDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-13-12-22-16-9-5-3-7-14(16)11-18(22)20-19(13)15-8-4-6-10-17(15)21(20)2/h3-12H,1-2H3.
What are the key properties of 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene?
3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene has a molecular weight of 284.36 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene is sourced from PubChem (CID 132577078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).