17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene

C33H26N2 — CID 140949020

IUPAC17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene
SMILESCCc1cccc(CC)c1-c1cn2c3ccc4ccc5ccccc5c4c3c3ccccc3c2n1
InChIInChI=1S/C33H26N2/c1-3-21-11-9-12-22(4-2)30(21)28-20-35-29-19-18-24-17-16-23-10-5-6-13-25(23)31(24)32(29)26-14-7-8-15-27(26)33(35)34-28/h5-20H,3-4H2,1-2H3
InChIKeyRWIFIWPRDASODV-UHFFFAOYSA-N
MW450.59 g/mol
LogP8.74
Rot. Bonds3

About 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene

17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene (PubChem CID 140949020) has the molecular formula C33H26N2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene.

Molecular Properties

Compound Name17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene
PubChem CID140949020
Molecular FormulaC33H26N2
Molecular Weight450.59 g/mol
Exact Mass450.21
IUPAC Name17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene
SMILESCCc1cccc(CC)c1-c1cn2c3ccc4ccc5ccccc5c4c3c3ccccc3c2n1
InChIInChI=1S/C33H26N2/c1-3-21-11-9-12-22(4-2)30(21)28-20-35-29-19-18-24-17-16-23-10-5-6-13-25(23)31(24)32(29)26-14-7-8-15-27(26)33(35)34-28/h5-20H,3-4H2,1-2H3
InChIKeyRWIFIWPRDASODV-UHFFFAOYSA-N
XLogP8.74
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene with MolForge

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Related Compounds

23-(2,6-diethylphenyl)-22,25-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 140948716
19-(2,6-dimethylphenyl)-18,21-diazahexacyclo[10.9.2.03,8.09,22.016,23.017,21]tricosa-1,3,5,7,9(22),10,12(23),13,15,17,19-undecaene
CID 140949366
1-ethylnaphthalene;pyrene
CID 174849884
CID 158275356
CID 158275356
9-ethyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 118440323
azane;1-ethylnaphthalene
CID 19048185
25-methyl-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 130325653
benzo[e]pyrene
CID 9128
trimethyl(phenanthren-4-ylmethyl)silane
CID 58825790
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276
sodium;1-ethylnaphthalene;hydride
CID 174300793
1-ethylpyrene;propane
CID 144711239

Frequently Asked Questions

What is the IUPAC name of 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene?
The IUPAC name of 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene (CID 140949020) is 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene.
What is the SMILES notation for 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene?
The canonical SMILES for 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene is CCc1cccc(CC)c1-c1cn2c3ccc4ccc5ccccc5c4c3c3ccccc3c2n1.
What is the InChIKey of 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene?
The InChIKey is RWIFIWPRDASODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2/c1-3-21-11-9-12-22(4-2)30(21)28-20-35-29-19-18-24-17-16-23-10-5-6-13-25(23)31(24)32(29)26-14-7-8-15-27(26)33(35)34-28/h5-20H,3-4H2,1-2H3.
What are the key properties of 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene?
17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene has a molecular weight of 450.59 g/mol, XLogP of 8.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(2,6-diethylphenyl)-15,18-diazahexacyclo[12.11.0.02,11.03,8.015,19.020,25]pentacosa-1(14),2(11),3,5,7,9,12,16,18,20,22,24-dodecaene is sourced from PubChem (CID 140949020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).