9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole

C123H74F3N7OS — CID 159483782

IUPAC9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
SMILESC#Cc1ccc(-c2cnc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c4c(oc5ccccc54)c3-c3ccccc3)nc2)cc1.FC(F)(F)c1ccnc2c(-c3c(-c4ccccc4)c(-c4ccccc4)c4sc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5c4c3-n3c4ccccc4c4ccccc43)ccnc12
InChIInChI=1S/C69H42F3N3S.C54H32N4O/c70-69(71,72)52-40-42-73-64-51(39-41-74-65(52)64)61-58(46-29-13-4-14-30-46)60(48-33-17-6-18-34-48)68-63(66(61)75-53-37-21-19-35-49(53)50-36-20-22-38-54(50)75)62-57(45-27-11-3-12-28-45)55(43-23-7-1-8-24-43)56(44-25-9-2-10-26-44)59(67(62)76-68)47-31-15-5-16-32-47;1-2-34-28-30-35(31-29-34)37-32-55-54(56-33-37)50-48(36-16-4-3-5-17-36)53-49(42-22-10-15-27-47(42)59-53)51(57-43-23-11-6-18-38(43)39-19-7-12-24-44(39)57)52(50)58-45-25-13-8-20-40(45)41-21-9-14-26-46(41)58/h1-42H;1,3-33H
InChIKeyLXIFPHAMUCSCPZ-UHFFFAOYSA-N
MW1755.05 g/mol
LogP33.34
Rot. Bonds13

About 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole

9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole (PubChem CID 159483782) has the molecular formula C123H74F3N7OS and a molecular weight of 1755.05 g/mol. Its IUPAC name is 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole.

Molecular Properties

Compound Name9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
PubChem CID159483782
Molecular FormulaC123H74F3N7OS
Molecular Weight1755.05 g/mol
Exact Mass1753.56
IUPAC Name9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
SMILESC#Cc1ccc(-c2cnc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c4c(oc5ccccc54)c3-c3ccccc3)nc2)cc1.FC(F)(F)c1ccnc2c(-c3c(-c4ccccc4)c(-c4ccccc4)c4sc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5c4c3-n3c4ccccc4c4ccccc43)ccnc12
InChIInChI=1S/C69H42F3N3S.C54H32N4O/c70-69(71,72)52-40-42-73-64-51(39-41-74-65(52)64)61-58(46-29-13-4-14-30-46)60(48-33-17-6-18-34-48)68-63(66(61)75-53-37-21-19-35-49(53)50-36-20-22-38-54(50)75)62-57(45-27-11-3-12-28-45)55(43-23-7-1-8-24-43)56(44-25-9-2-10-26-44)59(67(62)76-68)47-31-15-5-16-32-47;1-2-34-28-30-35(31-29-34)37-32-55-54(56-33-37)50-48(36-16-4-3-5-17-36)53-49(42-22-10-15-27-47(42)59-53)51(57-43-23-11-6-18-38(43)39-19-7-12-24-44(39)57)52(50)58-45-25-13-8-20-40(45)41-21-9-14-26-46(41)58/h1-42H;1,3-33H
InChIKeyLXIFPHAMUCSCPZ-UHFFFAOYSA-N
XLogP33.34
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001755.05
LogP ≤ 533.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole?
The IUPAC name of 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole (CID 159483782) is 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole.
What is the SMILES notation for 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole?
The canonical SMILES for 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole is C#Cc1ccc(-c2cnc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c4c(oc5ccccc54)c3-c3ccccc3)nc2)cc1.FC(F)(F)c1ccnc2c(-c3c(-c4ccccc4)c(-c4ccccc4)c4sc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5c4c3-n3c4ccccc4c4ccccc43)ccnc12.
What is the InChIKey of 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole?
The InChIKey is LXIFPHAMUCSCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42F3N3S.C54H32N4O/c70-69(71,72)52-40-42-73-64-51(39-41-74-65(52)64)61-58(46-29-13-4-14-30-46)60(48-33-17-6-18-34-48)68-63(66(61)75-53-37-21-19-35-49(53)50-36-20-22-38-54(50)75)62-57(45-27-11-3-12-28-45)55(43-23-7-1-8-24-43)56(44-25-9-2-10-26-44)59(67(62)76-68)47-31-15-5-16-32-47;1-2-34-28-30-35(31-29-34)37-32-55-54(56-33-37)50-48(36-16-4-3-5-17-36)53-49(42-22-10-15-27-47(42)59-53)51(57-43-23-11-6-18-38(43)39-19-7-12-24-44(39)57)52(50)58-45-25-13-8-20-40(45)41-21-9-14-26-46(41)58/h1-42H;1,3-33H.
What are the key properties of 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole?
9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole has a molecular weight of 1755.05 g/mol, XLogP of 33.34, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole is sourced from PubChem (CID 159483782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).