CID 162048265

C197H117N7O3 — CID 162048265

IUPAC—
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4-c4cc6c(cc4C54c5ccccc5C5(c7ccccc7-c7ccccc75)c5ccccc54)oc4ccccc46)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3-c3cc5c(cc3C43c4ccccc4C4(c6ccccc6-c6ccccc64)c4ccccc43)oc3ccccc35)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cccc4c3C3(c5cc6oc7ccccc7c6cc5-4)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C70H42N2O.C64H38N2O.C63H37N3O/c1-2-19-44(20-3-1)63-42-64(72-68(71-63)48-37-36-43-18-4-5-21-45(43)38-48)47-23-16-22-46(39-47)49-27-17-34-61-67(49)54-40-53-52-26-8-15-35-65(52)73-66(53)41-62(54)70(61)59-32-13-11-30-57(59)69(58-31-12-14-33-60(58)70)55-28-9-6-24-50(55)51-25-7-10-29-56(51)69;1-2-18-40(19-3-1)57-38-58(66-62(65-57)42-34-33-39-17-4-5-20-41(39)35-42)46-24-16-31-55-61(46)48-36-47-45-23-8-15-32-59(45)67-60(47)37-56(48)64(55)53-29-13-11-27-51(53)63(52-28-12-14-30-54(52)64)49-25-9-6-21-43(49)44-22-7-10-26-50(44)63;1-2-19-39(20-3-1)59-64-60(45-27-16-21-38-18-4-5-22-40(38)45)66-61(65-59)46-28-17-26-44-47-36-48-43-25-8-15-35-56(43)67-57(48)37-55(47)63(58(44)46)53-33-13-11-31-51(53)62(52-32-12-14-34-54(52)63)49-29-9-6-23-41(49)42-24-7-10-30-50(42)62/h1-42H;1-38H;1-37H
InChIKeyYYEUWJPOAXWQSZ-UHFFFAOYSA-N
MW2630.15 g/mol
LogP47.77
Rot. Bonds10

About CID 162048265

CID 162048265 (PubChem CID 162048265) has the molecular formula C197H117N7O3 and a molecular weight of 2630.15 g/mol.

Molecular Properties

Compound NameCID 162048265
PubChem CID162048265
Molecular FormulaC197H117N7O3
Molecular Weight2630.15 g/mol
Exact Mass2627.92
IUPAC Name—
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4-c4cc6c(cc4C54c5ccccc5C5(c7ccccc7-c7ccccc75)c5ccccc54)oc4ccccc46)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3-c3cc5c(cc3C43c4ccccc4C4(c6ccccc6-c6ccccc64)c4ccccc43)oc3ccccc35)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cccc4c3C3(c5cc6oc7ccccc7c6cc5-4)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C70H42N2O.C64H38N2O.C63H37N3O/c1-2-19-44(20-3-1)63-42-64(72-68(71-63)48-37-36-43-18-4-5-21-45(43)38-48)47-23-16-22-46(39-47)49-27-17-34-61-67(49)54-40-53-52-26-8-15-35-65(52)73-66(53)41-62(54)70(61)59-32-13-11-30-57(59)69(58-31-12-14-33-60(58)70)55-28-9-6-24-50(55)51-25-7-10-29-56(51)69;1-2-18-40(19-3-1)57-38-58(66-62(65-57)42-34-33-39-17-4-5-20-41(39)35-42)46-24-16-31-55-61(46)48-36-47-45-23-8-15-32-59(45)67-60(47)37-56(48)64(55)53-29-13-11-27-51(53)63(52-28-12-14-30-54(52)64)49-25-9-6-21-43(49)44-22-7-10-26-50(44)63;1-2-19-39(20-3-1)59-64-60(45-27-16-21-38-18-4-5-22-40(38)45)66-61(65-59)46-28-17-26-44-47-36-48-43-25-8-15-35-56(43)67-57(48)37-55(47)63(58(44)46)53-33-13-11-31-51(53)62(52-32-12-14-34-54(52)63)49-29-9-6-23-41(49)42-24-7-10-30-50(42)62/h1-42H;1-38H;1-37H
InChIKeyYYEUWJPOAXWQSZ-UHFFFAOYSA-N
XLogP47.77
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002630.15
LogP ≤ 547.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

CID 129023376
CID 129023376
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573455
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-3-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(6-phenylpyridazin-3-yl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine;2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 159831160
2-naphthalen-1-yl-4-phenyl-6-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-yl-1,3,5-triazine
CID 164720920
2,4-diphenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2-naphthalen-1-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylphenyl)-1,3,5-triazine
CID 159078190
2,4-diphenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)-1,3,5-triazine;4-naphthalen-1-yl-6-phenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1-yl-1,3,5-triazine
CID 158895403
2,4-diphenyl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-3-yl-1,3,5-triazine;4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylpyrimidine
CID 160636998
CID 129023009
CID 129023009
4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]
CID 161079471
2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146649021
2-naphthalen-1-yl-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648556
4,6-diphenyl-2-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine;2-naphthalen-1-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)-1,3,5-triazine
CID 158835331

Frequently Asked Questions

What is the IUPAC name of CID 162048265?
The IUPAC name of CID 162048265 (CID 162048265) is not available.
What is the SMILES notation for CID 162048265?
The canonical SMILES for CID 162048265 is c1ccc(-c2cc(-c3cccc(-c4cccc5c4-c4cc6c(cc4C54c5ccccc5C5(c7ccccc7-c7ccccc75)c5ccccc54)oc4ccccc46)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3-c3cc5c(cc3C43c4ccccc4C4(c6ccccc6-c6ccccc64)c4ccccc43)oc3ccccc35)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cccc4c3C3(c5cc6oc7ccccc7c6cc5-4)c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of CID 162048265?
The InChIKey is YYEUWJPOAXWQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2O.C64H38N2O.C63H37N3O/c1-2-19-44(20-3-1)63-42-64(72-68(71-63)48-37-36-43-18-4-5-21-45(43)38-48)47-23-16-22-46(39-47)49-27-17-34-61-67(49)54-40-53-52-26-8-15-35-65(52)73-66(53)41-62(54)70(61)59-32-13-11-30-57(59)69(58-31-12-14-33-60(58)70)55-28-9-6-24-50(55)51-25-7-10-29-56(51)69;1-2-18-40(19-3-1)57-38-58(66-62(65-57)42-34-33-39-17-4-5-20-41(39)35-42)46-24-16-31-55-61(46)48-36-47-45-23-8-15-32-59(45)67-60(47)37-56(48)64(55)53-29-13-11-27-51(53)63(52-28-12-14-30-54(52)64)49-25-9-6-21-43(49)44-22-7-10-26-50(44)63;1-2-19-39(20-3-1)59-64-60(45-27-16-21-38-18-4-5-22-40(38)45)66-61(65-59)46-28-17-26-44-47-36-48-43-25-8-15-35-56(43)67-57(48)37-55(47)63(58(44)46)53-33-13-11-31-51(53)62(52-32-12-14-34-54(52)63)49-29-9-6-23-41(49)42-24-7-10-30-50(42)62/h1-42H;1-38H;1-37H.
What are the key properties of CID 162048265?
CID 162048265 has a molecular weight of 2630.15 g/mol, XLogP of 47.77, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162048265 is sourced from PubChem (CID 162048265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).