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

C56H34N8 — CID 165151564

IUPAC2-[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
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6cnc7ccccc7n6)nc(-c6ccccc6)n5)ccc43)cc(-c3cnc4ccccc4n3)n2)cc1
InChIInChI=1S/C56H34N8/c1-3-13-33(14-4-1)55-61-47(29-49(63-55)51-31-57-43-19-9-11-21-45(43)59-51)35-23-25-39-41(27-35)53-37-17-7-8-18-38(37)54(39)42-28-36(24-26-40(42)53)48-30-50(64-56(62-48)34-15-5-2-6-16-34)52-32-58-44-20-10-12-22-46(44)60-52/h1-32,53-54H
InChIKeyOMNYSVVTGDLMJS-UHFFFAOYSA-N
MW818.94 g/mol
LogP12.14
Rot. Bonds6

About 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

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 (PubChem CID 165151564) has the molecular formula C56H34N8 and a molecular weight of 818.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID165151564
Molecular FormulaC56H34N8
Molecular Weight818.94 g/mol
Exact Mass818.29
IUPAC Name2-[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
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6cnc7ccccc7n6)nc(-c6ccccc6)n5)ccc43)cc(-c3cnc4ccccc4n3)n2)cc1
InChIInChI=1S/C56H34N8/c1-3-13-33(14-4-1)55-61-47(29-49(63-55)51-31-57-43-19-9-11-21-45(43)59-51)35-23-25-39-41(27-35)53-37-17-7-8-18-38(37)54(39)42-28-36(24-26-40(42)53)48-30-50(64-56(62-48)34-15-5-2-6-16-34)52-32-58-44-20-10-12-22-46(44)60-52/h1-32,53-54H
InChIKeyOMNYSVVTGDLMJS-UHFFFAOYSA-N
XLogP12.14
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.94
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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

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
4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline
CID 165150968
4-naphthalen-2-yl-2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-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]-6-phenylpyrimidine
CID 165151260
2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-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]-4,6-diphenyl-1,3,5-triazine
CID 165150447
6-[2-[2-phenyl-6-[11-[2-phenyl-6-(2-quinoxalin-6-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 165151318
6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-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]quinoline
CID 165151561
4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-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]-2-phenylpyrimidine
CID 165150984
3-[4-[4-phenyl-6-[11-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-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]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165151053
4-anthracen-9-yl-6-[11-(6-anthracen-9-yl-2-phenylpyrimidin-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]-2-phenylpyrimidine
CID 165151288
2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-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]-1,3,5-triazine
CID 165150713
4-(3,5-diphenylphenyl)-2-[11-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-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]-6-phenylpyrimidine
CID 165150725
2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 165150540

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6cnc7ccccc7n6)nc(-c6ccccc6)n5)ccc43)cc(-c3cnc4ccccc4n3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is OMNYSVVTGDLMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N8/c1-3-13-33(14-4-1)55-61-47(29-49(63-55)51-31-57-43-19-9-11-21-45(43)59-51)35-23-25-39-41(27-35)53-37-17-7-8-18-38(37)54(39)42-28-36(24-26-40(42)53)48-30-50(64-56(62-48)34-15-5-2-6-16-34)52-32-58-44-20-10-12-22-46(44)60-52/h1-32,53-54H.
What are the key properties of 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?
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 has a molecular weight of 818.94 g/mol, XLogP of 12.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165151564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).