7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine

C190H124N12O4 — CID 158507952

IUPAC7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESC1=CCC(c2nc(-c3ccccc3)c3oc4cc(-c5ccc6cc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)ccc6c5)ccc4c3n2)C=C1.C=C(/C=C\C1=CCCC=C1)c1nc(-c2ccccc2)nc2c1oc1cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc12.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3oc3cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc34)c2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)c3oc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4c3n2)cc1
InChIInChI=1S/C52H33N3O.C50H33N3O.C44H27N3O.C44H31N3O/c1-4-15-34(16-5-1)39-29-40(35-17-6-2-7-18-35)31-41(30-39)49-51-50(54-52(53-49)36-19-8-3-9-20-36)45-28-27-38(33-48(45)56-51)37-21-14-22-42(32-37)55-46-25-12-10-23-43(46)44-24-11-13-26-47(44)55;1-4-12-32(13-5-1)38-24-27-45-43(30-38)41-18-10-11-19-44(41)53(45)40-25-22-36-28-35(20-21-37(36)29-40)39-23-26-42-46(31-39)54-49-47(33-14-6-2-7-15-33)51-50(52-48(42)49)34-16-8-3-9-17-34;1-2-13-29(14-3-1)44-45-41(36-21-11-15-28-12-4-5-18-33(28)36)43-42(46-44)37-25-24-31(27-40(37)48-43)30-16-10-17-32(26-30)47-38-22-8-6-19-34(38)35-20-7-9-23-39(35)47;1-29(23-24-30-13-4-2-5-14-30)41-43-42(46-44(45-41)31-15-6-3-7-16-31)37-26-25-33(28-40(37)48-43)32-17-12-18-34(27-32)47-38-21-10-8-19-35(38)36-20-9-11-22-39(36)47/h1-33H;1-16,18-31,34H,17H2;1-27H;3-4,6-28H,1-2,5H2/b;;;24-23-
InChIKeyHKRNISNOHOMEAV-ALUXQKEGSA-N
MW2639.16 g/mol
LogP50.32
Rot. Bonds21

About 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine

7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 158507952) has the molecular formula C190H124N12O4 and a molecular weight of 2639.16 g/mol. Its IUPAC name is 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID158507952
Molecular FormulaC190H124N12O4
Molecular Weight2639.16 g/mol
Exact Mass2636.99
IUPAC Name7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESC1=CCC(c2nc(-c3ccccc3)c3oc4cc(-c5ccc6cc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)ccc6c5)ccc4c3n2)C=C1.C=C(/C=C\C1=CCCC=C1)c1nc(-c2ccccc2)nc2c1oc1cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc12.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3oc3cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc34)c2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)c3oc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4c3n2)cc1
InChIInChI=1S/C52H33N3O.C50H33N3O.C44H27N3O.C44H31N3O/c1-4-15-34(16-5-1)39-29-40(35-17-6-2-7-18-35)31-41(30-39)49-51-50(54-52(53-49)36-19-8-3-9-20-36)45-28-27-38(33-48(45)56-51)37-21-14-22-42(32-37)55-46-25-12-10-23-43(46)44-24-11-13-26-47(44)55;1-4-12-32(13-5-1)38-24-27-45-43(30-38)41-18-10-11-19-44(41)53(45)40-25-22-36-28-35(20-21-37(36)29-40)39-23-26-42-46(31-39)54-49-47(33-14-6-2-7-15-33)51-50(52-48(42)49)34-16-8-3-9-17-34;1-2-13-29(14-3-1)44-45-41(36-21-11-15-28-12-4-5-18-33(28)36)43-42(46-44)37-25-24-31(27-40(37)48-43)30-16-10-17-32(26-30)47-38-22-8-6-19-34(38)35-20-7-9-23-39(35)47;1-29(23-24-30-13-4-2-5-14-30)41-43-42(46-44(45-41)31-15-6-3-7-16-31)37-26-25-33(28-40(37)48-43)32-17-12-18-34(27-32)47-38-21-10-8-19-35(38)36-20-9-11-22-39(36)47/h1-33H;1-16,18-31,34H,17H2;1-27H;3-4,6-28H,1-2,5H2/b;;;24-23-
InChIKeyHKRNISNOHOMEAV-ALUXQKEGSA-N
XLogP50.32
TPSA175.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002639.16
LogP ≤ 550.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

6-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-(3-carbazol-9-ylphenyl)-4-naphthalen-2-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 161068999
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118232398
7-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142550907
2,4-diphenyl-6-[3-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 146606209
2-phenyl-8-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142551150
8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167232919
6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole
CID 156576285
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592812
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
4-(4-carbazol-9-ylphenyl)-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170092434
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163455374

Frequently Asked Questions

What is the IUPAC name of 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 158507952) is 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine is C1=CCC(c2nc(-c3ccccc3)c3oc4cc(-c5ccc6cc(-n7c8ccccc8c8cc(-c9ccccc9)ccc87)ccc6c5)ccc4c3n2)C=C1.C=C(/C=C\C1=CCCC=C1)c1nc(-c2ccccc2)nc2c1oc1cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc12.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3oc3cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc34)c2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)c3oc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4c3n2)cc1.
What is the InChIKey of 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is HKRNISNOHOMEAV-ALUXQKEGSA-N. The full InChI is InChI=1S/C52H33N3O.C50H33N3O.C44H27N3O.C44H31N3O/c1-4-15-34(16-5-1)39-29-40(35-17-6-2-7-18-35)31-41(30-39)49-51-50(54-52(53-49)36-19-8-3-9-20-36)45-28-27-38(33-48(45)56-51)37-21-14-22-42(32-37)55-46-25-12-10-23-43(46)44-24-11-13-26-47(44)55;1-4-12-32(13-5-1)38-24-27-45-43(30-38)41-18-10-11-19-44(41)53(45)40-25-22-36-28-35(20-21-37(36)29-40)39-23-26-42-46(31-39)54-49-47(33-14-6-2-7-15-33)51-50(52-48(42)49)34-16-8-3-9-17-34;1-2-13-29(14-3-1)44-45-41(36-21-11-15-28-12-4-5-18-33(28)36)43-42(46-44)37-25-24-31(27-40(37)48-43)30-16-10-17-32(26-30)47-38-22-8-6-19-34(38)35-20-7-9-23-39(35)47;1-29(23-24-30-13-4-2-5-14-30)41-43-42(46-44(45-41)31-15-6-3-7-16-31)37-26-25-33(28-40(37)48-43)32-17-12-18-34(27-32)47-38-21-10-8-19-35(38)36-20-9-11-22-39(36)47/h1-33H;1-16,18-31,34H,17H2;1-27H;3-4,6-28H,1-2,5H2/b;;;24-23-.
What are the key properties of 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2639.16 g/mol, XLogP of 50.32, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-carbazol-9-ylphenyl)-4-[(3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dien-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-cyclohexa-2,4-dien-1-yl-4-phenyl-7-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 158507952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).