1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene

C18H12N2 — CID 67110565

IUPAC1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
SMILESC1=Cc2nc3ccccc3n3c2c(c2ccccc23)C1
InChIInChI=1S/C18H12N2/c1-3-10-16-12(6-1)13-7-5-9-15-18(13)20(16)17-11-4-2-8-14(17)19-15/h1-6,8-11H,7H2
InChIKeyBWORNCXQAXZNAN-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.21
Rot. Bonds

About 1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene

1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene (PubChem CID 67110565) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene.

Molecular Properties

Compound Name1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
PubChem CID67110565
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
SMILESC1=Cc2nc3ccccc3n3c2c(c2ccccc23)C1
InChIInChI=1S/C18H12N2/c1-3-10-16-12(6-1)13-7-5-9-15-18(13)20(16)17-11-4-2-8-14(17)19-15/h1-6,8-11H,7H2
InChIKeyBWORNCXQAXZNAN-UHFFFAOYSA-N
XLogP4.21
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
CID 122555450
10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
CID 142725706
2,9,17-triazaheptacyclo[15.10.1.02,10.03,8.011,16.018,23.024,28]octacosa-1(27),3,5,7,9,11,13,15,18,20,22,24(28),25-tridecaene
CID 164734138
3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11,13,15,18,20,22,24,26,28-tetradecaene
CID 139436188
6-benzylindolo[1,2-a]quinoxalin-7-ol
CID 162407924
3H-cyclopenta[c]quinoline-4-carbonitrile
CID 89386863
9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 129128192
2,9-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),3,5,7,9,11,14,16,18,20-decaene
CID 11054668
10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 155393923
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-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 70884353
21-bromo-3,10,17-triazaheptacyclo[15.10.1.02,10.04,9.011,16.018,23.024,28]octacosa-1(27),2,4,6,8,11,13,15,18(23),19,21,24(28),25-tridecaene
CID 146722032

Frequently Asked Questions

What is the IUPAC name of 1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene?
The IUPAC name of 1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene (CID 67110565) is 1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene.
What is the SMILES notation for 1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene?
The canonical SMILES for 1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene is C1=Cc2nc3ccccc3n3c2c(c2ccccc23)C1.
What is the InChIKey of 1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene?
The InChIKey is BWORNCXQAXZNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-3-10-16-12(6-1)13-7-5-9-15-18(13)20(16)17-11-4-2-8-14(17)19-15/h1-6,8-11H,7H2.
What are the key properties of 1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene?
1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene has a molecular weight of 256.31 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene is sourced from PubChem (CID 67110565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).