9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole

C155H96FN15O2S — CID 161293677

IUPAC9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole
SMILESCc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2oc3ccccc3c12.Cc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccccc21.Fc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2sc3ccccc3c12
InChIInChI=1S/2C52H33N5O.C51H30FN5S/c1-32-45(52-54-50(33-18-4-2-5-19-33)53-51(55-52)34-20-6-3-7-21-34)48(57-42-29-15-10-24-37(42)38-25-11-16-30-43(38)57)46-39-26-12-17-31-44(39)58-49(46)47(32)56-40-27-13-8-22-35(40)36-23-9-14-28-41(36)56;1-32-45-39-26-12-17-31-44(39)58-49(45)48(57-42-29-15-10-24-37(42)38-25-11-16-30-43(38)57)47(56-40-27-13-8-22-35(40)36-23-9-14-28-41(36)56)46(32)52-54-50(33-18-4-2-5-19-33)53-51(55-52)34-20-6-3-7-21-34;52-45-43-37-25-11-16-30-42(37)58-48(43)47(57-40-28-14-9-23-35(40)36-24-10-15-29-41(36)57)46(56-38-26-12-7-21-33(38)34-22-8-13-27-39(34)56)44(45)51-54-49(31-17-3-1-4-18-31)53-50(55-51)32-19-5-2-6-20-32/h2*2-31H,1H3;1-30H
InChIKeyVGRQBHLWHKGRBW-UHFFFAOYSA-N
MW2251.64 g/mol
LogP40.12
Rot. Bonds15

About 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole

9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole (PubChem CID 161293677) has the molecular formula C155H96FN15O2S and a molecular weight of 2251.64 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole
PubChem CID161293677
Molecular FormulaC155H96FN15O2S
Molecular Weight2251.64 g/mol
Exact Mass2249.76
IUPAC Name9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole
SMILESCc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2oc3ccccc3c12.Cc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccccc21.Fc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2sc3ccccc3c12
InChIInChI=1S/2C52H33N5O.C51H30FN5S/c1-32-45(52-54-50(33-18-4-2-5-19-33)53-51(55-52)34-20-6-3-7-21-34)48(57-42-29-15-10-24-37(42)38-25-11-16-30-43(38)57)46-39-26-12-17-31-44(39)58-49(46)47(32)56-40-27-13-8-22-35(40)36-23-9-14-28-41(36)56;1-32-45-39-26-12-17-31-44(39)58-49(45)48(57-42-29-15-10-24-37(42)38-25-11-16-30-43(38)57)47(56-40-27-13-8-22-35(40)36-23-9-14-28-41(36)56)46(32)52-54-50(33-18-4-2-5-19-33)53-51(55-52)34-20-6-3-7-21-34;52-45-43-37-25-11-16-30-42(37)58-48(43)47(57-40-28-14-9-23-35(40)36-24-10-15-29-41(36)57)46(56-38-26-12-7-21-33(38)34-22-8-13-27-39(34)56)44(45)51-54-49(31-17-3-1-4-18-31)53-50(55-51)32-19-5-2-6-20-32/h2*2-31H,1H3;1-30H
InChIKeyVGRQBHLWHKGRBW-UHFFFAOYSA-N
XLogP40.12
TPSA171.87 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002251.64
LogP ≤ 540.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole with MolForge

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Related Compounds

9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole;9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzothiophen-1-yl]carbazole;9-[4-[4-(3-carbazol-9-yl-1-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1-fluorodibenzothiophen-3-yl]carbazole
CID 158627039
21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-9-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635318
9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole
CID 148948409
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635251
11-[4-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 170929957
5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 164715024
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-20-oxa-3-thia-11-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 170063930
18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 161422636
18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-27-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155159961
9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 153300149
21-(2,6-diphenylpyrimidin-4-yl)-9-oxa-18-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635139
9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole
CID 147932592

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole (CID 161293677) is 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole is Cc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2oc3ccccc3c12.Cc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c2c(oc3ccccc32)c1-n1c2ccccc2c2ccccc21.Fc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2sc3ccccc3c12.
What is the InChIKey of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole?
The InChIKey is VGRQBHLWHKGRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N5O.C51H30FN5S/c1-32-45(52-54-50(33-18-4-2-5-19-33)53-51(55-52)34-20-6-3-7-21-34)48(57-42-29-15-10-24-37(42)38-25-11-16-30-43(38)57)46-39-26-12-17-31-44(39)58-49(46)47(32)56-40-27-13-8-22-35(40)36-23-9-14-28-41(36)56;1-32-45-39-26-12-17-31-44(39)58-49(45)48(57-42-29-15-10-24-37(42)38-25-11-16-30-43(38)57)47(56-40-27-13-8-22-35(40)36-23-9-14-28-41(36)56)46(32)52-54-50(33-18-4-2-5-19-33)53-51(55-52)34-20-6-3-7-21-34;52-45-43-37-25-11-16-30-42(37)58-48(43)47(57-40-28-14-9-23-35(40)36-24-10-15-29-41(36)57)46(56-38-26-12-7-21-33(38)34-22-8-13-27-39(34)56)44(45)51-54-49(31-17-3-1-4-18-31)53-50(55-51)32-19-5-2-6-20-32/h2*2-31H,1H3;1-30H.
What are the key properties of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole?
9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole has a molecular weight of 2251.64 g/mol, XLogP of 40.12, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-fluorodibenzothiophen-4-yl]carbazole;9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-4-yl]carbazole;9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyldibenzofuran-4-yl]carbazole is sourced from PubChem (CID 161293677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).