2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline

C28H18N2 — CID 143843089

IUPAC2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline
SMILESc1ccc2c(c1)C1c3ccccc3C2c2c(-c3cnc4ccccc4n3)cccc21
InChIInChI=1S/C28H18N2/c1-3-10-19-17(8-1)26-18-9-2-4-11-20(18)27(19)28-21(12-7-13-22(26)28)25-16-29-23-14-5-6-15-24(23)30-25/h1-16,26-27H
InChIKeyHUEPFVVMSXWDLC-UHFFFAOYSA-N
MW382.47 g/mol
LogP6.28
Rot. Bonds1

About 2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline

2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline (PubChem CID 143843089) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline.

Molecular Properties

Compound Name2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline
PubChem CID143843089
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline
SMILESc1ccc2c(c1)C1c3ccccc3C2c2c(-c3cnc4ccccc4n3)cccc21
InChIInChI=1S/C28H18N2/c1-3-10-19-17(8-1)26-18-9-2-4-11-20(18)27(19)28-21(12-7-13-22(26)28)25-16-29-23-14-5-6-15-24(23)30-25/h1-16,26-27H
InChIKeyHUEPFVVMSXWDLC-UHFFFAOYSA-N
XLogP6.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-phenyl-6-[11-[2-phenyl-6-(2-quinoxalin-2-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoxaline
CID 165151566
2-[2-phenyl-6-[11-(2-phenyl-6-quinoxalin-2-ylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]quinoxaline
CID 165151564
1-(2-quinoxalin-2-ylphenyl)ethanone
CID 163871254
2-methyl-3-quinoxalin-2-ylquinoxaline
CID 171905215
2-(2,4-difluorophenyl)quinoxaline
CID 102428437
(3-quinoxalin-2-ylphenyl)methanamine
CID 174907322
CID 88913467
CID 88913467
9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole
CID 122441349
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline
CID 134529429
azane;quinoxalin-2-amine
CID 172829613
2-(5-methylthiophen-2-yl)quinoxaline
CID 10680762

Frequently Asked Questions

What is the IUPAC name of 2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline?
The IUPAC name of 2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline (CID 143843089) is 2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline.
What is the SMILES notation for 2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline?
The canonical SMILES for 2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline is c1ccc2c(c1)C1c3ccccc3C2c2c(-c3cnc4ccccc4n3)cccc21.
What is the InChIKey of 2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline?
The InChIKey is HUEPFVVMSXWDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-3-10-19-17(8-1)26-18-9-2-4-11-20(18)27(19)28-21(12-7-13-22(26)28)25-16-29-23-14-5-6-15-24(23)30-25/h1-16,26-27H.
What are the key properties of 2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline?
2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline has a molecular weight of 382.47 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)quinoxaline is sourced from PubChem (CID 143843089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).