5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C186H118F9N15OS — CID 160897693

IUPAC5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/C78H50F3N9.C54H34F3N3O.C54H34F3N3S/c1-49-32-34-50(35-33-49)62-46-60(77-82-66(52-20-8-2-9-21-52)48-67(83-77)53-22-10-3-11-23-53)47-63(51-36-40-61(41-37-51)78(79,80)81)70(62)90-68-42-38-58(75-86-71(54-24-12-4-13-25-54)84-72(87-75)55-26-14-5-15-27-55)44-64(68)65-45-59(39-43-69(65)90)76-88-73(56-28-16-6-17-29-56)85-74(89-76)57-30-18-7-19-31-57;2*1-33-20-22-34(23-21-33)43-30-38(53-58-45(36-12-4-2-5-13-36)32-46(59-53)37-14-6-3-7-15-37)31-44(35-24-26-39(27-25-35)54(55,56)57)51(43)60-47-18-10-8-17-42(47)50-48(60)29-28-41-40-16-9-11-19-49(40)61-52(41)50/h2-48H,1H3;2*2-32H,1H3
InChIKeySPBZBYCOWMHSOU-UHFFFAOYSA-N
MW2782.14 g/mol
LogP50.35
Rot. Bonds24

About 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 160897693) has the molecular formula C186H118F9N15OS and a molecular weight of 2782.14 g/mol. Its IUPAC name is 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID160897693
Molecular FormulaC186H118F9N15OS
Molecular Weight2782.14 g/mol
Exact Mass2779.92
IUPAC Name5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/C78H50F3N9.C54H34F3N3O.C54H34F3N3S/c1-49-32-34-50(35-33-49)62-46-60(77-82-66(52-20-8-2-9-21-52)48-67(83-77)53-22-10-3-11-23-53)47-63(51-36-40-61(41-37-51)78(79,80)81)70(62)90-68-42-38-58(75-86-71(54-24-12-4-13-25-54)84-72(87-75)55-26-14-5-15-27-55)44-64(68)65-45-59(39-43-69(65)90)76-88-73(56-28-16-6-17-29-56)85-74(89-76)57-30-18-7-19-31-57;2*1-33-20-22-34(23-21-33)43-30-38(53-58-45(36-12-4-2-5-13-36)32-46(59-53)37-14-6-3-7-15-37)31-44(35-24-26-39(27-25-35)54(55,56)57)51(43)60-47-18-10-8-17-42(47)50-48(60)29-28-41-40-16-9-11-19-49(40)61-52(41)50/h2-48H,1H3;2*2-32H,1H3
InChIKeySPBZBYCOWMHSOU-UHFFFAOYSA-N
XLogP50.35
TPSA182.61 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002782.14
LogP ≤ 550.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole with MolForge

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Related Compounds

3-[5-[3-[4-[[5-[3-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499324
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499590
3-[5-[3-[4-[[5-[3-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499751
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554689
5-[2-[4-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138712618
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139298127
9-[3-[(E)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-1-enyl]-2-(fluoromethyl)-[1]benzothiolo[6,5-b][1]benzofuran-7-yl]carbazole
CID 146664308
11-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158578
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158580
14-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155159487
5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155159514
7-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[2,3-b]carbazole
CID 155159515

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 160897693) is 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is Cc1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1.
What is the InChIKey of 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is SPBZBYCOWMHSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50F3N9.C54H34F3N3O.C54H34F3N3S/c1-49-32-34-50(35-33-49)62-46-60(77-82-66(52-20-8-2-9-21-52)48-67(83-77)53-22-10-3-11-23-53)47-63(51-36-40-61(41-37-51)78(79,80)81)70(62)90-68-42-38-58(75-86-71(54-24-12-4-13-25-54)84-72(87-75)55-26-14-5-15-27-55)44-64(68)65-45-59(39-43-69(65)90)76-88-73(56-28-16-6-17-29-56)85-74(89-76)57-30-18-7-19-31-57;2*1-33-20-22-34(23-21-33)43-30-38(53-58-45(36-12-4-2-5-13-36)32-46(59-53)37-14-6-3-7-15-37)31-44(35-24-26-39(27-25-35)54(55,56)57)51(43)60-47-18-10-8-17-42(47)50-48(60)29-28-41-40-16-9-11-19-49(40)61-52(41)50/h2-48H,1H3;2*2-32H,1H3.
What are the key properties of 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 2782.14 g/mol, XLogP of 50.35, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 160897693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).