6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene

C21H18N2 — CID 170459366

IUPAC6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
SMILESc1cc2c(cn1)[nH]c1c3ccc(c12)CCc1ccc(cc1)CC3
InChIInChI=1S/C21H18N2/c1-3-15-4-2-14(1)5-7-16-9-10-17(8-6-15)21-20(16)18-11-12-22-13-19(18)23-21/h1-4,9-13,23H,5-8H2
InChIKeyCMWOXPAPYBMMJQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.60
Rot. Bonds

About 6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene

6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene (PubChem CID 170459366) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene.

Molecular Properties

Compound Name6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
PubChem CID170459366
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
SMILESc1cc2c(cn1)[nH]c1c3ccc(c12)CCc1ccc(cc1)CC3
InChIInChI=1S/C21H18N2/c1-3-15-4-2-14(1)5-7-16-9-10-17(8-6-15)21-20(16)18-11-12-22-13-19(18)23-21/h1-4,9-13,23H,5-8H2
InChIKeyCMWOXPAPYBMMJQ-UHFFFAOYSA-N
XLogP4.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
CID 138453883
3-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 154227096
5,7-dimethyl-9H-pyrido[3,4-b]indole
CID 22566324
7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
CID 141040361
6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
CID 160546617
8-methoxy-9H-pyrido[3,4-b]indole
CID 22185224
6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride
CID 68524321
2-chloro-3-iodo-1H-pyrrolo[2,3-c]pyridine
CID 175128278
5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848540
2-(4-methylpiperazin-1-yl)-6,9,14,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11(16),12,14-octaene
CID 171053449
4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaene
CID 89209681
azane;5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 118981774

Frequently Asked Questions

What is the IUPAC name of 6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene?
The IUPAC name of 6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene (CID 170459366) is 6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene.
What is the SMILES notation for 6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene?
The canonical SMILES for 6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene is c1cc2c(cn1)[nH]c1c3ccc(c12)CCc1ccc(cc1)CC3.
What is the InChIKey of 6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene?
The InChIKey is CMWOXPAPYBMMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-3-15-4-2-14(1)5-7-16-9-10-17(8-6-15)21-20(16)18-11-12-22-13-19(18)23-21/h1-4,9-13,23H,5-8H2.
What are the key properties of 6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene?
6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene has a molecular weight of 298.39 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene is sourced from PubChem (CID 170459366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).