9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene

C18H10N2 — CID 154183141

IUPAC9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene
SMILESc1ccc2c(c1)c1cccc3ccc4cnnc2c4c31
InChIInChI=1S/C18H10N2/c1-2-6-15-13(5-1)14-7-3-4-11-8-9-12-10-19-20-18(15)17(12)16(11)14/h1-10H
InChIKeyACZNMTMJUYOREB-UHFFFAOYSA-N
MW254.29 g/mol
LogP4.53
Rot. Bonds

About 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene

9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene (PubChem CID 154183141) has the molecular formula C18H10N2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene.

Molecular Properties

Compound Name9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene
PubChem CID154183141
Molecular FormulaC18H10N2
Molecular Weight254.29 g/mol
Exact Mass254.08
IUPAC Name9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene
SMILESc1ccc2c(c1)c1cccc3ccc4cnnc2c4c31
InChIInChI=1S/C18H10N2/c1-2-6-15-13(5-1)14-7-3-4-11-8-9-12-10-19-20-18(15)17(12)16(11)14/h1-10H
InChIKeyACZNMTMJUYOREB-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzo[e]pyrene
CID 9128
benzo[e]pyrene;phenazine
CID 174928113
nonacyclo[14.14.2.02,15.03,12.04,9.05,30.020,32.021,26.027,31]dotriaconta-1(30),2(15),3(12),4(9),5,7,10,13,16,18,20(32),21,23,25,27(31),28-hexadecaene
CID 21087978
phenanthrene;pyrene;triphenylene
CID 162115949
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916
3-bromobenzo[e]pyrene
CID 12727091
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 20558356
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955
8-(2,2-dimethylpropyl)-17-methyl-3,4-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2(20),3,5,7,9,11,13,15(19),16-decaene
CID 153466596
tetrasilver;benzo[e]pyrene;1,4-xylene;tetraperchlorate
CID 139136663
21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 154721572

Frequently Asked Questions

What is the IUPAC name of 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene?
The IUPAC name of 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene (CID 154183141) is 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene.
What is the SMILES notation for 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene?
The canonical SMILES for 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene is c1ccc2c(c1)c1cccc3ccc4cnnc2c4c31.
What is the InChIKey of 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene?
The InChIKey is ACZNMTMJUYOREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2/c1-2-6-15-13(5-1)14-7-3-4-11-8-9-12-10-19-20-18(15)17(12)16(11)14/h1-10H.
What are the key properties of 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene?
9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene has a molecular weight of 254.29 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene is sourced from PubChem (CID 154183141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).