2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene

C19H12N2 — CID 158524295

IUPAC2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
SMILESc1ccc2c(c1)Cc1nc3ccccc3c3nccc-2c13
InChIInChI=1S/C19H12N2/c1-2-6-13-12(5-1)11-17-18-14(13)9-10-20-19(18)15-7-3-4-8-16(15)21-17/h1-10H,11H2
InChIKeyVQPXVCQYODKQKB-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.35
Rot. Bonds

About 2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene

2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene (PubChem CID 158524295) has the molecular formula C19H12N2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene.

Molecular Properties

Compound Name2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
PubChem CID158524295
Molecular FormulaC19H12N2
Molecular Weight268.32 g/mol
Exact Mass268.10
IUPAC Name2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
SMILESc1ccc2c(c1)Cc1nc3ccccc3c3nccc-2c13
InChIInChI=1S/C19H12N2/c1-2-6-13-12(5-1)11-17-18-14(13)9-10-20-19(18)15-7-3-4-8-16(15)21-17/h1-10H,11H2
InChIKeyVQPXVCQYODKQKB-UHFFFAOYSA-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 ≤ 500268.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-fluoro-2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaene
CID 160703384
2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaene
CID 158524296
11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
CID 166806392
19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene
CID 165351241
benzene;9H-fluorene;naphthalene;pyridine
CID 158705225
4-chloro-11H-indeno[1,2-h]quinoline
CID 70373092
8-(9H-fluoren-1-yl)quinoline
CID 151254514
3,10,14,24-tetrazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8(13),9,11,15(23),16,18,20-undecaene
CID 160929748
3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 160879482
benzene;ethane;9H-fluorene;naphthalene;pyridine
CID 160675726
6,11-dihydrobenzo[b]acridine-12-carboxylic acid
CID 4565367
9H-fluorene;trihydrofluoride
CID 172854917

Frequently Asked Questions

What is the IUPAC name of 2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene?
The IUPAC name of 2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene (CID 158524295) is 2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene.
What is the SMILES notation for 2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene?
The canonical SMILES for 2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene is c1ccc2c(c1)Cc1nc3ccccc3c3nccc-2c13.
What is the InChIKey of 2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene?
The InChIKey is VQPXVCQYODKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2/c1-2-6-13-12(5-1)11-17-18-14(13)9-10-20-19(18)15-7-3-4-8-16(15)21-17/h1-10H,11H2.
What are the key properties of 2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene?
2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene has a molecular weight of 268.32 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 2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene is sourced from PubChem (CID 158524295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).