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

C76H46N4O2 — CID 165150739

IUPAC4-(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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)n5)ccc43)n2)cc1
InChIInChI=1S/C76H46N4O2/c1-3-13-47(14-4-1)65-43-67(49-27-23-45(24-28-49)51-33-37-71-61(39-51)55-17-9-11-21-69(55)81-71)79-75(77-65)53-31-35-59-63(41-53)73-57-19-7-8-20-58(57)74(59)64-42-54(32-36-60(64)73)76-78-66(48-15-5-2-6-16-48)44-68(80-76)50-29-25-46(26-30-50)52-34-38-72-62(40-52)56-18-10-12-22-70(56)82-72/h1-44,73-74H
InChIKeyZEADWTNFJOBDDV-UHFFFAOYSA-N
MW1047.23 g/mol
LogP19.39
Rot. Bonds8

About 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

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 (PubChem CID 165150739) has the molecular formula C76H46N4O2 and a molecular weight of 1047.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID165150739
Molecular FormulaC76H46N4O2
Molecular Weight1047.23 g/mol
Exact Mass1046.36
IUPAC Name4-(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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)n5)ccc43)n2)cc1
InChIInChI=1S/C76H46N4O2/c1-3-13-47(14-4-1)65-43-67(49-27-23-45(24-28-49)51-33-37-71-61(39-51)55-17-9-11-21-69(55)81-71)79-75(77-65)53-31-35-59-63(41-53)73-57-19-7-8-20-58(57)74(59)64-42-54(32-36-60(64)73)76-78-66(48-15-5-2-6-16-48)44-68(80-76)50-29-25-46(26-30-50)52-34-38-72-62(40-52)56-18-10-12-22-70(56)82-72/h1-44,73-74H
InChIKeyZEADWTNFJOBDDV-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-(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 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-(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
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
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-(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
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-(4-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 121460844
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
2-[3-[16-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-4,6-diphenylpyrimidine
CID 67952807
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)n5)ccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is ZEADWTNFJOBDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N4O2/c1-3-13-47(14-4-1)65-43-67(49-27-23-45(24-28-49)51-33-37-71-61(39-51)55-17-9-11-21-69(55)81-71)79-75(77-65)53-31-35-59-63(41-53)73-57-19-7-8-20-58(57)74(59)64-42-54(32-36-60(64)73)76-78-66(48-15-5-2-6-16-48)44-68(80-76)50-29-25-46(26-30-50)52-34-38-72-62(40-52)56-18-10-12-22-70(56)82-72/h1-44,73-74H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 165150739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).