5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

C55H36N6O — CID 126656335

IUPAC5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC[C@@H](c2nc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c43)n2)C=C1
InChIInChI=1S/C55H36N6O/c1-5-18-35(19-6-1)45-34-48(57-52(56-45)36-20-7-2-8-21-36)61-46-30-15-13-29-42(46)49-50(61)43(33-44-41-28-14-16-31-47(41)62-51(44)49)39-26-17-27-40(32-39)55-59-53(37-22-9-3-10-23-37)58-54(60-55)38-24-11-4-12-25-38/h1-20,22-34,36H,21H2/t36-/m0/s1
InChIKeyDGDAHFWVHDLAFR-BHVANESWSA-N
MW796.93 g/mol
LogP13.59
Rot. Bonds7

About 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 126656335) has the molecular formula C55H36N6O and a molecular weight of 796.93 g/mol. Its IUPAC name is 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID126656335
Molecular FormulaC55H36N6O
Molecular Weight796.93 g/mol
Exact Mass796.30
IUPAC Name5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC[C@@H](c2nc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c43)n2)C=C1
InChIInChI=1S/C55H36N6O/c1-5-18-35(19-6-1)45-34-48(57-52(56-45)36-20-7-2-8-21-36)61-46-30-15-13-29-42(46)49-50(61)43(33-44-41-28-14-16-31-47(41)62-51(44)49)39-26-17-27-40(32-39)55-59-53(37-22-9-3-10-23-37)58-54(60-55)38-24-11-4-12-25-38/h1-20,22-34,36H,21H2/t36-/m0/s1
InChIKeyDGDAHFWVHDLAFR-BHVANESWSA-N
XLogP13.59
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.93
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

24-[4-(2-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4,15-dioxa-24-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 165081797
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252675
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]carbazole
CID 134252545
5-[3-(4-cyclohepta-1,4,6-trien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;methane;prop-1-ene
CID 145265256
12-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649917
2-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167183078
9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
CID 163775601
6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 134252589
1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole
CID 142568974
2-[9-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 163580766
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-2,3-dihydrocarbazol-3-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 134252684
12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649916

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 126656335) is 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is C1=CC[C@@H](c2nc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c43)n2)C=C1.
What is the InChIKey of 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is DGDAHFWVHDLAFR-BHVANESWSA-N. The full InChI is InChI=1S/C55H36N6O/c1-5-18-35(19-6-1)45-34-48(57-52(56-45)36-20-7-2-8-21-36)61-46-30-15-13-29-42(46)49-50(61)43(33-44-41-28-14-16-31-47(41)62-51(44)49)39-26-17-27-40(32-39)55-59-53(37-22-9-3-10-23-37)58-54(60-55)38-24-11-4-12-25-38/h1-20,22-34,36H,21H2/t36-/m0/s1.
What are the key properties of 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 796.93 g/mol, XLogP of 13.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1R)-cyclohexa-2,4-dien-1-yl]-6-phenylpyrimidin-4-yl]-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 126656335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).