4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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

C76H46N4O2 — CID 165150895

IUPAC4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccccc6-c6ccc7oc8ccccc8c7c6)nc(-c6ccccc6)n5)ccc43)cc(-c3ccccc3-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C76H46N4O2/c1-3-17-45(18-4-1)75-77-65(43-67(79-75)53-23-9-7-21-51(53)47-33-37-71-61(39-47)55-25-13-15-29-69(55)81-71)49-31-35-59-63(41-49)73-57-27-11-12-28-58(57)74(59)64-42-50(32-36-60(64)73)66-44-68(80-76(78-66)46-19-5-2-6-20-46)54-24-10-8-22-52(54)48-34-38-72-62(40-48)56-26-14-16-30-70(56)82-72/h1-44,73-74H
InChIKeyTYDUEBSACYIMRQ-UHFFFAOYSA-N
MW1047.23 g/mol
LogP19.39
Rot. Bonds8

About 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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

4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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 (PubChem CID 165150895) has the molecular formula C76H46N4O2 and a molecular weight of 1047.23 g/mol. Its IUPAC name is 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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.

Molecular Properties

Compound Name4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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
PubChem CID165150895
Molecular FormulaC76H46N4O2
Molecular Weight1047.23 g/mol
Exact Mass1046.36
IUPAC Name4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccccc6-c6ccc7oc8ccccc8c7c6)nc(-c6ccccc6)n5)ccc43)cc(-c3ccccc3-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C76H46N4O2/c1-3-17-45(18-4-1)75-77-65(43-67(79-75)53-23-9-7-21-51(53)47-33-37-71-61(39-47)55-25-13-15-29-69(55)81-71)49-31-35-59-63(41-49)73-57-27-11-12-28-58(57)74(59)64-42-50(32-36-60(64)73)66-44-68(80-76(78-66)46-19-5-2-6-20-46)54-24-10-8-22-52(54)48-34-38-72-62(40-48)56-26-14-16-30-70(56)82-72/h1-44,73-74H
InChIKeyTYDUEBSACYIMRQ-UHFFFAOYSA-N
XLogP19.39
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.23
LogP ≤ 519.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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 with MolForge

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Related Compounds

2-[11-[6-(4-dibenzofuran-2-ylphenyl)-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 165151512
4-(4-dibenzofuran-2-ylphenyl)-2-[11-[4-(4-dibenzofuran-2-ylphenyl)-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 165150739
2-dibenzofuran-4-yl-4-[11-(2,6-diphenylpyrimidin-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-(2-phenylphenyl)-1,3,5-triazine
CID 165150936
4-(4-dibenzofuran-1-ylphenyl)-2-[11-[4-(4-dibenzofuran-1-ylphenyl)-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 165150437
4-(2-dibenzofuran-2-ylphenyl)-6-[3-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602615
2-(3-dibenzofuran-1-ylphenyl)-4-[11-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-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]-6-phenyl-1,3,5-triazine
CID 165150917
4-(2-dibenzothiophen-2-ylphenyl)-6-[11-[6-(2-dibenzothiophen-2-ylphenyl)-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 165150692
2-(4-dibenzofuran-4-ylphenyl)-4-[11-(4,6-diphenyl-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]-6-phenyl-1,3,5-triazine
CID 165151324
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602845
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-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-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 165150686
2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline
CID 165151414

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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?
The IUPAC name of 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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 165150895) is 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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.
What is the SMILES notation for 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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?
The canonical SMILES for 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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 is c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccccc6-c6ccc7oc8ccccc8c7c6)nc(-c6ccccc6)n5)ccc43)cc(-c3ccccc3-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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?
The InChIKey is TYDUEBSACYIMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N4O2/c1-3-17-45(18-4-1)75-77-65(43-67(79-75)53-23-9-7-21-51(53)47-33-37-71-61(39-47)55-25-13-15-29-69(55)81-71)49-31-35-59-63(41-49)73-57-27-11-12-28-58(57)74(59)64-42-50(32-36-60(64)73)66-44-68(80-76(78-66)46-19-5-2-6-20-46)54-24-10-8-22-52(54)48-34-38-72-62(40-48)56-26-14-16-30-70(56)82-72/h1-44,73-74H.
What are the key properties of 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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?
4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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 has a molecular weight of 1047.23 g/mol, XLogP of 19.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-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 is sourced from PubChem (CID 165150895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).