9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine

C420H250N6S — CID 161247177

IUPAC9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine
SMILESCc1c(-c2cc3ccccc3c3ccccc23)c(-c2cc3ccccc3c3ccccc23)c(C)c(-c2cc3ccccc3c3ccccc23)c1-c1cc2ccccc2c2ccccc12.c1cc2ccc3cc(-c4sc(-c5cc6ccc7cccc8ccc(c5)c6c78)c(-c5ccc6ccc7cccc8ccc5c6c78)c4-c4ccc5ccc6cccc7ccc4c5c67)cc4ccc(c1)c2c34.c1cc2ccc3ccc(-c4nc(-c5ccc6ccc7cccc8ccc5c6c78)nc(-c5ccc6ccc7cccc8ccc5c6c78)n4)c4ccc(c1)c2c34.c1ccc2c(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5c(-c5cc(-c6c7ccccc7cc7ccccc67)cc(-c6c7ccccc7cc7ccccc67)c5)c5ccccc45)c3)c3ccccc3cc2c1.c1ccc2c(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5cc5ccccc45)c3)c3ccccc3cc2c1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)c(-c3cc4ccccc4c4ccccc34)cc1-c1cc3ccccc3c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(-c1nc(-c3cc4ccccc4c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12
InChIInChI=1S/C82H50.C68H36S.C64H42.C62H38.C51H27N3.C48H30.C45H27N3/c1-9-29-65-51(21-1)41-52-22-2-10-30-66(52)77(65)59-45-60(78-67-31-11-3-23-53(67)42-54-24-4-12-32-68(54)78)48-63(47-59)81-73-37-17-19-39-75(73)82(76-40-20-18-38-74(76)81)64-49-61(79-69-33-13-5-25-55(69)43-56-26-6-14-34-70(56)79)46-62(50-64)80-71-35-15-7-27-57(71)44-58-28-8-16-36-72(58)80;1-5-37-17-21-47-33-51(34-48-22-18-38(6-1)57(37)61(47)48)67-65(55-31-27-45-15-13-41-9-3-11-43-25-29-53(55)63(45)59(41)43)66(56-32-28-46-16-14-42-10-4-12-44-26-30-54(56)64(46)60(42)44)68(69-67)52-35-49-23-19-39-7-2-8-40-20-24-50(36-52)62(49)58(39)40;1-39-61(57-35-41-19-3-7-23-45(41)49-27-11-15-31-53(49)57)63(59-37-43-21-5-9-25-47(43)51-29-13-17-33-55(51)59)40(2)64(60-38-44-22-6-10-26-48(44)52-30-14-18-34-56(52)60)62(39)58-36-42-20-4-8-24-46(42)50-28-12-16-32-54(50)58;1-5-21-43-39(17-1)33-55(51-29-13-9-25-47(43)51)59-37-61(57-35-41-19-3-7-23-45(41)49-27-11-15-31-53(49)57)62(58-36-42-20-4-8-24-46(42)50-28-12-16-32-54(50)58)38-60(59)56-34-40-18-2-6-22-44(40)48-26-10-14-30-52(48)56;1-4-28-10-13-34-19-25-40(37-22-16-31(7-1)43(28)46(34)37)49-52-50(41-26-20-35-14-11-29-5-2-8-32-17-23-38(41)47(35)44(29)32)54-51(53-49)42-27-21-36-15-12-30-6-3-9-33-18-24-39(42)48(36)45(30)33;1-7-19-40-31(13-1)25-32-14-2-8-20-41(32)46(40)37-28-38(47-42-21-9-3-15-33(42)26-34-16-4-10-22-43(34)47)30-39(29-37)48-44-23-11-5-17-35(44)27-36-18-6-12-24-45(36)48;1-4-16-31-28(13-1)25-40(37-22-10-7-19-34(31)37)43-46-44(41-26-29-14-2-5-17-32(29)35-20-8-11-23-38(35)41)48-45(47-43)42-27-30-15-3-6-18-33(30)36-21-9-12-24-39(36)42/h1-50H;1-36H;3-38H,1-2H3;1-38H;1-27H;1-30H;1-27H
InChIKeyVAUGQLVRDBEFEE-UHFFFAOYSA-N
MW5412.73 g/mol
LogP117.97
Rot. Bonds27

About 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine

9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine (PubChem CID 161247177) has the molecular formula C420H250N6S and a molecular weight of 5412.73 g/mol. Its IUPAC name is 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine
PubChem CID161247177
Molecular FormulaC420H250N6S
Molecular Weight5412.73 g/mol
Exact Mass5407.95
IUPAC Name9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine
SMILESCc1c(-c2cc3ccccc3c3ccccc23)c(-c2cc3ccccc3c3ccccc23)c(C)c(-c2cc3ccccc3c3ccccc23)c1-c1cc2ccccc2c2ccccc12.c1cc2ccc3cc(-c4sc(-c5cc6ccc7cccc8ccc(c5)c6c78)c(-c5ccc6ccc7cccc8ccc5c6c78)c4-c4ccc5ccc6cccc7ccc4c5c67)cc4ccc(c1)c2c34.c1cc2ccc3ccc(-c4nc(-c5ccc6ccc7cccc8ccc5c6c78)nc(-c5ccc6ccc7cccc8ccc5c6c78)n4)c4ccc(c1)c2c34.c1ccc2c(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5c(-c5cc(-c6c7ccccc7cc7ccccc67)cc(-c6c7ccccc7cc7ccccc67)c5)c5ccccc45)c3)c3ccccc3cc2c1.c1ccc2c(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5cc5ccccc45)c3)c3ccccc3cc2c1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)c(-c3cc4ccccc4c4ccccc34)cc1-c1cc3ccccc3c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(-c1nc(-c3cc4ccccc4c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12
InChIInChI=1S/C82H50.C68H36S.C64H42.C62H38.C51H27N3.C48H30.C45H27N3/c1-9-29-65-51(21-1)41-52-22-2-10-30-66(52)77(65)59-45-60(78-67-31-11-3-23-53(67)42-54-24-4-12-32-68(54)78)48-63(47-59)81-73-37-17-19-39-75(73)82(76-40-20-18-38-74(76)81)64-49-61(79-69-33-13-5-25-55(69)43-56-26-6-14-34-70(56)79)46-62(50-64)80-71-35-15-7-27-57(71)44-58-28-8-16-36-72(58)80;1-5-37-17-21-47-33-51(34-48-22-18-38(6-1)57(37)61(47)48)67-65(55-31-27-45-15-13-41-9-3-11-43-25-29-53(55)63(45)59(41)43)66(56-32-28-46-16-14-42-10-4-12-44-26-30-54(56)64(46)60(42)44)68(69-67)52-35-49-23-19-39-7-2-8-40-20-24-50(36-52)62(49)58(39)40;1-39-61(57-35-41-19-3-7-23-45(41)49-27-11-15-31-53(49)57)63(59-37-43-21-5-9-25-47(43)51-29-13-17-33-55(51)59)40(2)64(60-38-44-22-6-10-26-48(44)52-30-14-18-34-56(52)60)62(39)58-36-42-20-4-8-24-46(42)50-28-12-16-32-54(50)58;1-5-21-43-39(17-1)33-55(51-29-13-9-25-47(43)51)59-37-61(57-35-41-19-3-7-23-45(41)49-27-11-15-31-53(49)57)62(58-36-42-20-4-8-24-46(42)50-28-12-16-32-54(50)58)38-60(59)56-34-40-18-2-6-22-44(40)48-26-10-14-30-52(48)56;1-4-28-10-13-34-19-25-40(37-22-16-31(7-1)43(28)46(34)37)49-52-50(41-26-20-35-14-11-29-5-2-8-32-17-23-38(41)47(35)44(29)32)54-51(53-49)42-27-21-36-15-12-30-6-3-9-33-18-24-39(42)48(36)45(30)33;1-7-19-40-31(13-1)25-32-14-2-8-20-41(32)46(40)37-28-38(47-42-21-9-3-15-33(42)26-34-16-4-10-22-43(34)47)30-39(29-37)48-44-23-11-5-17-35(44)27-36-18-6-12-24-45(36)48;1-4-16-31-28(13-1)25-40(37-22-10-7-19-34(31)37)43-46-44(41-26-29-14-2-5-17-32(29)35-20-8-11-23-38(35)41)48-45(47-43)42-27-30-15-3-6-18-33(30)36-21-9-12-24-39(36)42/h1-50H;1-36H;3-38H,1-2H3;1-38H;1-27H;1-30H;1-27H
InChIKeyVAUGQLVRDBEFEE-UHFFFAOYSA-N
XLogP117.97
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds27
Heavy Atoms427
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005412.73
LogP ≤ 5117.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine?
The IUPAC name of 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine (CID 161247177) is 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine.
What is the SMILES notation for 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine?
The canonical SMILES for 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine is Cc1c(-c2cc3ccccc3c3ccccc23)c(-c2cc3ccccc3c3ccccc23)c(C)c(-c2cc3ccccc3c3ccccc23)c1-c1cc2ccccc2c2ccccc12.c1cc2ccc3cc(-c4sc(-c5cc6ccc7cccc8ccc(c5)c6c78)c(-c5ccc6ccc7cccc8ccc5c6c78)c4-c4ccc5ccc6cccc7ccc4c5c67)cc4ccc(c1)c2c34.c1cc2ccc3ccc(-c4nc(-c5ccc6ccc7cccc8ccc5c6c78)nc(-c5ccc6ccc7cccc8ccc5c6c78)n4)c4ccc(c1)c2c34.c1ccc2c(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5c(-c5cc(-c6c7ccccc7cc7ccccc67)cc(-c6c7ccccc7cc7ccccc67)c5)c5ccccc45)c3)c3ccccc3cc2c1.c1ccc2c(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5cc5ccccc45)c3)c3ccccc3cc2c1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)c(-c3cc4ccccc4c4ccccc34)cc1-c1cc3ccccc3c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(-c1nc(-c3cc4ccccc4c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12.
What is the InChIKey of 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine?
The InChIKey is VAUGQLVRDBEFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50.C68H36S.C64H42.C62H38.C51H27N3.C48H30.C45H27N3/c1-9-29-65-51(21-1)41-52-22-2-10-30-66(52)77(65)59-45-60(78-67-31-11-3-23-53(67)42-54-24-4-12-32-68(54)78)48-63(47-59)81-73-37-17-19-39-75(73)82(76-40-20-18-38-74(76)81)64-49-61(79-69-33-13-5-25-55(69)43-56-26-6-14-34-70(56)79)46-62(50-64)80-71-35-15-7-27-57(71)44-58-28-8-16-36-72(58)80;1-5-37-17-21-47-33-51(34-48-22-18-38(6-1)57(37)61(47)48)67-65(55-31-27-45-15-13-41-9-3-11-43-25-29-53(55)63(45)59(41)43)66(56-32-28-46-16-14-42-10-4-12-44-26-30-54(56)64(46)60(42)44)68(69-67)52-35-49-23-19-39-7-2-8-40-20-24-50(36-52)62(49)58(39)40;1-39-61(57-35-41-19-3-7-23-45(41)49-27-11-15-31-53(49)57)63(59-37-43-21-5-9-25-47(43)51-29-13-17-33-55(51)59)40(2)64(60-38-44-22-6-10-26-48(44)52-30-14-18-34-56(52)60)62(39)58-36-42-20-4-8-24-46(42)50-28-12-16-32-54(50)58;1-5-21-43-39(17-1)33-55(51-29-13-9-25-47(43)51)59-37-61(57-35-41-19-3-7-23-45(41)49-27-11-15-31-53(49)57)62(58-36-42-20-4-8-24-46(42)50-28-12-16-32-54(50)58)38-60(59)56-34-40-18-2-6-22-44(40)48-26-10-14-30-52(48)56;1-4-28-10-13-34-19-25-40(37-22-16-31(7-1)43(28)46(34)37)49-52-50(41-26-20-35-14-11-29-5-2-8-32-17-23-38(41)47(35)44(29)32)54-51(53-49)42-27-21-36-15-12-30-6-3-9-33-18-24-39(42)48(36)45(30)33;1-7-19-40-31(13-1)25-32-14-2-8-20-41(32)46(40)37-28-38(47-42-21-9-3-15-33(42)26-34-16-4-10-22-43(34)47)30-39(29-37)48-44-23-11-5-17-35(44)27-36-18-6-12-24-45(36)48;1-4-16-31-28(13-1)25-40(37-22-10-7-19-34(31)37)43-46-44(41-26-29-14-2-5-17-32(29)35-20-8-11-23-38(35)41)48-45(47-43)42-27-30-15-3-6-18-33(30)36-21-9-12-24-39(36)42/h1-50H;1-36H;3-38H,1-2H3;1-38H;1-27H;1-30H;1-27H.
What are the key properties of 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine?
9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine has a molecular weight of 5412.73 g/mol, XLogP of 117.97, 27 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[3,5-di(anthracen-9-yl)phenyl]anthracene;9-[2,5-dimethyl-3,4,6-tri(phenanthren-9-yl)phenyl]phenanthrene;3,4-di(pyren-1-yl)-2,5-di(pyren-2-yl)thiophene;9-[2,4,5-tri(phenanthren-9-yl)phenyl]phenanthrene;2,4,6-tri(phenanthren-9-yl)-1,3,5-triazine;2,4,6-tri(pyren-1-yl)-1,3,5-triazine is sourced from PubChem (CID 161247177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).