11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene

C19H11ClN2 — CID 132570518

IUPAC11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
SMILESClc1ccc2c3ccccc3c3nc4ccccn4c3c2c1
InChIInChI=1S/C19H11ClN2/c20-12-8-9-14-13-5-1-2-6-15(13)18-19(16(14)11-12)22-10-4-3-7-17(22)21-18/h1-11H
InChIKeyVQOZSHJROZBJGI-UHFFFAOYSA-N
MW302.76 g/mol
LogP5.45
Rot. Bonds

About 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene

11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene (PubChem CID 132570518) has the molecular formula C19H11ClN2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene.

Molecular Properties

Compound Name11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
PubChem CID132570518
Molecular FormulaC19H11ClN2
Molecular Weight302.76 g/mol
Exact Mass302.06
IUPAC Name11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
SMILESClc1ccc2c3ccccc3c3nc4ccccn4c3c2c1
InChIInChI=1S/C19H11ClN2/c20-12-8-9-14-13-5-1-2-6-15(13)18-19(16(14)11-12)22-10-4-3-7-17(22)21-18/h1-11H
InChIKeyVQOZSHJROZBJGI-UHFFFAOYSA-N
XLogP5.45
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.76
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene with MolForge

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Related Compounds

11-ethyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
CID 132570511
12-chloro-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene;hydrochloride
CID 21142140
10-chlorophenanthro[9,10-b]pyrazine
CID 121296750
8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one
CID 616556
9-(4-phenanthren-9-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392950
9-[3-(2-phenanthren-9-yl-4,6-diphenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 146325587
8,9-bis[4-(2-phenylethynyl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 177392825
9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 143396339
N-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-amine
CID 10086717
8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile
CID 25192789
2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 58121796
5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
CID 132562122

Frequently Asked Questions

What is the IUPAC name of 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?
The IUPAC name of 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene (CID 132570518) is 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene.
What is the SMILES notation for 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?
The canonical SMILES for 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene is Clc1ccc2c3ccccc3c3nc4ccccn4c3c2c1.
What is the InChIKey of 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?
The InChIKey is VQOZSHJROZBJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2/c20-12-8-9-14-13-5-1-2-6-15(13)18-19(16(14)11-12)22-10-4-3-7-17(22)21-18/h1-11H.
What are the key properties of 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?
11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene has a molecular weight of 302.76 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene is sourced from PubChem (CID 132570518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).