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

C19H13N — CID 122555450

IUPAC1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
SMILESC1=Cc2cc3ccccc3n3c2c(c2ccccc23)C1
InChIInChI=1S/C19H13N/c1-3-10-17-13(6-1)12-14-7-5-9-16-15-8-2-4-11-18(15)20(17)19(14)16/h1-8,10-12H,9H2
InChIKeyWLMOKSPKBCCRHE-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.82
Rot. Bonds

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

1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene (PubChem CID 122555450) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-azapentacyclo[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-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
PubChem CID122555450
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
SMILESC1=Cc2cc3ccccc3n3c2c(c2ccccc23)C1
InChIInChI=1S/C19H13N/c1-3-10-17-13(6-1)12-14-7-5-9-16-15-8-2-4-11-18(15)20(17)19(14)16/h1-8,10-12H,9H2
InChIKeyWLMOKSPKBCCRHE-UHFFFAOYSA-N
XLogP4.82
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
7H-pyrido[1,2-a]indol-6-one;hydrochloride
CID 86746430
2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene
CID 171595191
nonacyclo[17.13.1.12,6.120,28.07,12.015,33.022,27.014,35.032,34]pentatriaconta-1(32),2,4,6(35),7,9,11,13,15(33),16,18,20,22,24,26,28(34),29-heptadecaene
CID 21087841
19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,19-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2,4,6,8,11,13,15,18(26),20,22,24,27-tridecaene
CID 90433052
4-ethyl-29-methyl-1,4-diazanonacyclo[16.14.1.02,17.03,11.05,10.012,16.022,33.023,32.025,30]tritriaconta-2(17),3(11),5,7,9,12(16),14,18,20,22(33),23,25,27,29,31-pentadecaene
CID 145351037
10,15,23-triazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
CID 138474741
10,22-dinaphthalen-1-yl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene
CID 168856526
1,8-dihydro-as-indacene
CID 11030043
5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole
CID 144673812
21-(3,5-diphenylphenyl)-2,21-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene
CID 90432700

Frequently Asked Questions

What is the IUPAC name of 1-azapentacyclo[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-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene (CID 122555450) is 1-azapentacyclo[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-azapentacyclo[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-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene is C1=Cc2cc3ccccc3n3c2c(c2ccccc23)C1.
What is the InChIKey of 1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene?
The InChIKey is WLMOKSPKBCCRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N/c1-3-10-17-13(6-1)12-14-7-5-9-16-15-8-2-4-11-18(15)20(17)19(14)16/h1-8,10-12H,9H2.
What are the key properties of 1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene?
1-azapentacyclo[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 255.32 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azapentacyclo[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 122555450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).