12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene

C19H12N2 — CID 164748227

IUPAC12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
SMILES[2H]C1([2H])c2c(ncc3ccccc23)-c2ccnc3cccc1c23
InChIInChI=1S/C19H12N2/c1-2-6-14-13(4-1)11-21-19-15-8-9-20-17-7-3-5-12(18(15)17)10-16(14)19/h1-9,11H,10H2/i10D2
InChIKeyKNMQWJRWUSVHAY-KBMKNGFXSA-N
MW270.33 g/mol
LogP4.35
Rot. Bonds

About 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene

12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene (PubChem CID 164748227) has the molecular formula C19H12N2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene.

Molecular Properties

Compound Name12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
PubChem CID164748227
Molecular FormulaC19H12N2
Molecular Weight270.33 g/mol
Exact Mass270.11
IUPAC Name12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
SMILES[2H]C1([2H])c2c(ncc3ccccc23)-c2ccnc3cccc1c23
InChIInChI=1S/C19H12N2/c1-2-6-14-13(4-1)11-21-19-15-8-9-20-17-7-3-5-12(18(15)17)10-16(14)19/h1-9,11H,10H2/i10D2
InChIKeyKNMQWJRWUSVHAY-KBMKNGFXSA-N
XLogP4.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene with MolForge

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Related Compounds

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CID 174646632
7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one
CID 121217424
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164748916
phenanthridine-1-thiol
CID 135666738
1-bromophenanthridine;hydrate
CID 175162345
phenanthridine
CID 9189
3-[4-[4,6-di(quinolin-4-yl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 122416233
1-(5-methyl-2-pyridinyl)phenanthridine
CID 118552189
4-pyrimidin-2-ylquinoline
CID 123157198
4-naphthalen-2-ylquinoline
CID 14173372
phenanthridine;platinum(2+)
CID 23616726

Frequently Asked Questions

What is the IUPAC name of 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
The IUPAC name of 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene (CID 164748227) is 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene.
What is the SMILES notation for 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
The canonical SMILES for 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene is [2H]C1([2H])c2c(ncc3ccccc23)-c2ccnc3cccc1c23.
What is the InChIKey of 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
The InChIKey is KNMQWJRWUSVHAY-KBMKNGFXSA-N. The full InChI is InChI=1S/C19H12N2/c1-2-6-14-13(4-1)11-21-19-15-8-9-20-17-7-3-5-12(18(15)17)10-16(14)19/h1-9,11H,10H2/i10D2.
What are the key properties of 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene has a molecular weight of 270.33 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene is sourced from PubChem (CID 164748227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).