2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

C214H137F2N17S — CID 157252607

IUPAC2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
SMILESCc1cc(F)cc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)c3)cc2)c1.Fc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nccc(-c5cccc(-c6ccc(-c7ccccc7)cc6)c5)n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cn4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ncc(-c5ccc(-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)cc5)cn4)cc32)cc1
InChIInChI=1S/C56H36N6.C53H35FN4.C53H33N3S.C52H33FN4/c1-2-8-47(9-3-1)61-52-12-6-4-10-48(52)50-20-18-42(34-55(50)61)41-19-21-54-51(33-41)49-11-5-7-13-53(49)62(54)56-59-35-46(36-60-56)38-16-14-37(15-17-38)43-30-44(39-22-26-57-27-23-39)32-45(31-43)40-24-28-58-29-25-40;1-34-28-41(31-42(54)29-34)36-20-18-35(19-21-36)37-10-9-11-40(30-37)48-26-27-55-53(56-48)58-50-17-8-6-15-45(50)47-32-38(23-25-51(47)58)39-22-24-46-44-14-5-7-16-49(44)57(52(46)33-39)43-12-3-2-4-13-43;1-2-14-39(15-3-1)55-47-21-7-4-16-41(47)43-27-24-36(32-50(43)55)35-25-28-49-46(31-35)42-17-5-8-22-48(42)56(49)52-29-26-38(33-54-52)34-12-10-13-37(30-34)40-19-11-20-45-44-18-6-9-23-51(44)57-53(40)45;53-41-23-25-42(26-24-41)56-48-15-6-4-13-43(48)45-27-21-39(33-51(45)56)38-22-28-50-46(32-38)44-14-5-7-16-49(44)57(50)52-54-30-29-47(55-52)40-12-8-11-37(31-40)36-19-17-35(18-20-36)34-9-2-1-3-10-34/h1-36H;2-33H,1H3;2*1-33H
InChIKeyAWMYKLRSURVCHZ-UHFFFAOYSA-N
MW3016.63 g/mol
LogP55.70
Rot. Bonds24

About 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (PubChem CID 157252607) has the molecular formula C214H137F2N17S and a molecular weight of 3016.63 g/mol. Its IUPAC name is 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
PubChem CID157252607
Molecular FormulaC214H137F2N17S
Molecular Weight3016.63 g/mol
Exact Mass3014.09
IUPAC Name2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
SMILESCc1cc(F)cc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)c3)cc2)c1.Fc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nccc(-c5cccc(-c6ccc(-c7ccccc7)cc6)c5)n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cn4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ncc(-c5ccc(-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)cc5)cn4)cc32)cc1
InChIInChI=1S/C56H36N6.C53H35FN4.C53H33N3S.C52H33FN4/c1-2-8-47(9-3-1)61-52-12-6-4-10-48(52)50-20-18-42(34-55(50)61)41-19-21-54-51(33-41)49-11-5-7-13-53(49)62(54)56-59-35-46(36-60-56)38-16-14-37(15-17-38)43-30-44(39-22-26-57-27-23-39)32-45(31-43)40-24-28-58-29-25-40;1-34-28-41(31-42(54)29-34)36-20-18-35(19-21-36)37-10-9-11-40(30-37)48-26-27-55-53(56-48)58-50-17-8-6-15-45(50)47-32-38(23-25-51(47)58)39-22-24-46-44-14-5-7-16-49(44)57(52(46)33-39)43-12-3-2-4-13-43;1-2-14-39(15-3-1)55-47-21-7-4-16-41(47)43-27-24-36(32-50(43)55)35-25-28-49-46(31-35)42-17-5-8-22-48(42)56(49)52-29-26-38(33-54-52)34-12-10-13-37(30-34)40-19-11-20-45-44-18-6-9-23-51(44)57-53(40)45;53-41-23-25-42(26-24-41)56-48-15-6-4-13-43(48)45-27-21-39(33-51(45)56)38-22-28-50-46(32-38)44-14-5-7-16-49(44)57(50)52-54-30-29-47(55-52)40-12-8-11-37(31-40)36-19-17-35(18-20-36)34-9-2-1-3-10-34/h1-36H;2-33H,1H3;2*1-33H
InChIKeyAWMYKLRSURVCHZ-UHFFFAOYSA-N
XLogP55.70
TPSA155.45 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003016.63
LogP ≤ 555.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The IUPAC name of 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (CID 157252607) is 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.
What is the SMILES notation for 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The canonical SMILES for 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is Cc1cc(F)cc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)n4)c3)cc2)c1.Fc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nccc(-c5cccc(-c6ccc(-c7ccccc7)cc6)c5)n4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cn4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ncc(-c5ccc(-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)cc5)cn4)cc32)cc1.
What is the InChIKey of 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The InChIKey is AWMYKLRSURVCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6.C53H35FN4.C53H33N3S.C52H33FN4/c1-2-8-47(9-3-1)61-52-12-6-4-10-48(52)50-20-18-42(34-55(50)61)41-19-21-54-51(33-41)49-11-5-7-13-53(49)62(54)56-59-35-46(36-60-56)38-16-14-37(15-17-38)43-30-44(39-22-26-57-27-23-39)32-45(31-43)40-24-28-58-29-25-40;1-34-28-41(31-42(54)29-34)36-20-18-35(19-21-36)37-10-9-11-40(30-37)48-26-27-55-53(56-48)58-50-17-8-6-15-45(50)47-32-38(23-25-51(47)58)39-22-24-46-44-14-5-7-16-49(44)57(52(46)33-39)43-12-3-2-4-13-43;1-2-14-39(15-3-1)55-47-21-7-4-16-41(47)43-27-24-36(32-50(43)55)35-25-28-49-46(31-35)42-17-5-8-22-48(42)56(49)52-29-26-38(33-54-52)34-12-10-13-37(30-34)40-19-11-20-45-44-18-6-9-23-51(44)57-53(40)45;53-41-23-25-42(26-24-41)56-48-15-6-4-13-43(48)45-27-21-39(33-51(45)56)38-22-28-50-46(32-38)44-14-5-7-16-49(44)57(50)52-54-30-29-47(55-52)40-12-8-11-37(31-40)36-19-17-35(18-20-36)34-9-2-1-3-10-34/h1-36H;2-33H,1H3;2*1-33H.
What are the key properties of 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole has a molecular weight of 3016.63 g/mol, XLogP of 55.70, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[5-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[5-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[3-[4-(3-fluoro-5-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is sourced from PubChem (CID 157252607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).