3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole

C271H208F4N16 — CID 159416179

IUPAC3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4c3c2)cc1.CCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.CCCCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21.FC(F)(F)c1ccc2[nH]c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Fc1ccc2[nH]c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc5[nH]c6ccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cc6c5c4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc5[nH]c6ccccc6c5c4)c32)cc1
InChIInChI=1S/C64H63N3.C48H31N3.2C34H28N2.C31H19F3N2.C30H19FN2.C30H20N2/c1-61(2,3)43-19-29-57-51(35-43)52-36-44(62(4,5)6)20-30-58(52)66(57)47-23-13-39(14-24-47)41-17-27-55-49(33-41)50-34-42(18-28-56(50)65-55)40-15-25-48(26-16-40)67-59-31-21-45(63(7,8)9)37-53(59)54-38-46(64(10,11)12)22-32-60(54)67;1-3-13-33(14-4-1)50-45-23-9-7-17-37(45)39-21-11-19-35(47(39)50)31-25-27-43-41(29-31)42-30-32(26-28-44(42)49-43)36-20-12-22-40-38-18-8-10-24-46(38)51(48(36)40)34-15-5-2-6-16-34;1-2-3-10-23-11-4-8-15-32(23)36-33-16-9-6-13-27(33)29-22-25(18-20-34(29)36)24-17-19-31-28(21-24)26-12-5-7-14-30(26)35-31;1-2-3-8-23-13-17-26(18-14-23)36-33-12-7-5-10-28(33)30-22-25(16-20-34(30)36)24-15-19-32-29(21-24)27-9-4-6-11-31(27)35-32;32-31(33,34)21-12-14-28-25(18-21)24-16-19(10-13-27(24)35-28)20-11-15-30-26(17-20)23-8-4-5-9-29(23)36(30)22-6-2-1-3-7-22;31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32-28)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33(30)22-6-2-1-3-7-22;1-2-9-21(10-3-1)32-29-16-7-5-12-24(29)25-14-8-13-22(30(25)32)20-17-18-28-26(19-20)23-11-4-6-15-27(23)31-28/h13-38,65H,1-12H3;1-30,49H;4-9,11-22,35H,2-3,10H2,1H3;4-7,9-22,35H,2-3,8H2,1H3;1-18,35H;1-18,32H;1-19,31H
InChIKeyLPEORDBOTURQJA-UHFFFAOYSA-N
MW3764.75 g/mol
LogP75.16
Rot. Bonds24

About 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole

3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole (PubChem CID 159416179) has the molecular formula C271H208F4N16 and a molecular weight of 3764.75 g/mol. Its IUPAC name is 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole.

Molecular Properties

Compound Name3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole
PubChem CID159416179
Molecular FormulaC271H208F4N16
Molecular Weight3764.75 g/mol
Exact Mass3761.67
IUPAC Name3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4c3c2)cc1.CCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.CCCCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21.FC(F)(F)c1ccc2[nH]c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Fc1ccc2[nH]c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc5[nH]c6ccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cc6c5c4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc5[nH]c6ccccc6c5c4)c32)cc1
InChIInChI=1S/C64H63N3.C48H31N3.2C34H28N2.C31H19F3N2.C30H19FN2.C30H20N2/c1-61(2,3)43-19-29-57-51(35-43)52-36-44(62(4,5)6)20-30-58(52)66(57)47-23-13-39(14-24-47)41-17-27-55-49(33-41)50-34-42(18-28-56(50)65-55)40-15-25-48(26-16-40)67-59-31-21-45(63(7,8)9)37-53(59)54-38-46(64(10,11)12)22-32-60(54)67;1-3-13-33(14-4-1)50-45-23-9-7-17-37(45)39-21-11-19-35(47(39)50)31-25-27-43-41(29-31)42-30-32(26-28-44(42)49-43)36-20-12-22-40-38-18-8-10-24-46(38)51(48(36)40)34-15-5-2-6-16-34;1-2-3-10-23-11-4-8-15-32(23)36-33-16-9-6-13-27(33)29-22-25(18-20-34(29)36)24-17-19-31-28(21-24)26-12-5-7-14-30(26)35-31;1-2-3-8-23-13-17-26(18-14-23)36-33-12-7-5-10-28(33)30-22-25(16-20-34(30)36)24-15-19-32-29(21-24)27-9-4-6-11-31(27)35-32;32-31(33,34)21-12-14-28-25(18-21)24-16-19(10-13-27(24)35-28)20-11-15-30-26(17-20)23-8-4-5-9-29(23)36(30)22-6-2-1-3-7-22;31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32-28)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33(30)22-6-2-1-3-7-22;1-2-9-21(10-3-1)32-29-16-7-5-12-24(29)25-14-8-13-22(30(25)32)20-17-18-28-26(19-20)23-11-4-6-15-27(23)31-28/h13-38,65H,1-12H3;1-30,49H;4-9,11-22,35H,2-3,10H2,1H3;4-7,9-22,35H,2-3,8H2,1H3;1-18,35H;1-18,32H;1-19,31H
InChIKeyLPEORDBOTURQJA-UHFFFAOYSA-N
XLogP75.16
TPSA154.90 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003764.75
LogP ≤ 575.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole?
The IUPAC name of 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole (CID 159416179) is 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole.
What is the SMILES notation for 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole?
The canonical SMILES for 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4c3c2)cc1.CCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.CCCCc1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21.FC(F)(F)c1ccc2[nH]c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Fc1ccc2[nH]c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc5[nH]c6ccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)cc6c5c4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc5[nH]c6ccccc6c5c4)c32)cc1.
What is the InChIKey of 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole?
The InChIKey is LPEORDBOTURQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H63N3.C48H31N3.2C34H28N2.C31H19F3N2.C30H19FN2.C30H20N2/c1-61(2,3)43-19-29-57-51(35-43)52-36-44(62(4,5)6)20-30-58(52)66(57)47-23-13-39(14-24-47)41-17-27-55-49(33-41)50-34-42(18-28-56(50)65-55)40-15-25-48(26-16-40)67-59-31-21-45(63(7,8)9)37-53(59)54-38-46(64(10,11)12)22-32-60(54)67;1-3-13-33(14-4-1)50-45-23-9-7-17-37(45)39-21-11-19-35(47(39)50)31-25-27-43-41(29-31)42-30-32(26-28-44(42)49-43)36-20-12-22-40-38-18-8-10-24-46(38)51(48(36)40)34-15-5-2-6-16-34;1-2-3-10-23-11-4-8-15-32(23)36-33-16-9-6-13-27(33)29-22-25(18-20-34(29)36)24-17-19-31-28(21-24)26-12-5-7-14-30(26)35-31;1-2-3-8-23-13-17-26(18-14-23)36-33-12-7-5-10-28(33)30-22-25(16-20-34(30)36)24-15-19-32-29(21-24)27-9-4-6-11-31(27)35-32;32-31(33,34)21-12-14-28-25(18-21)24-16-19(10-13-27(24)35-28)20-11-15-30-26(17-20)23-8-4-5-9-29(23)36(30)22-6-2-1-3-7-22;31-21-12-14-28-25(18-21)24-16-19(10-13-27(24)32-28)20-11-15-30-26(17-20)23-8-4-5-9-29(23)33(30)22-6-2-1-3-7-22;1-2-9-21(10-3-1)32-29-16-7-5-12-24(29)25-14-8-13-22(30(25)32)20-17-18-28-26(19-20)23-11-4-6-15-27(23)31-28/h13-38,65H,1-12H3;1-30,49H;4-9,11-22,35H,2-3,10H2,1H3;4-7,9-22,35H,2-3,8H2,1H3;1-18,35H;1-18,32H;1-19,31H.
What are the key properties of 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole?
3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole has a molecular weight of 3764.75 g/mol, XLogP of 75.16, 24 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9-phenylcarbazol-1-yl)-9H-carbazole;9-(2-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;9-(4-butylphenyl)-3-(9H-carbazol-3-yl)carbazole;1-(9H-carbazol-3-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[6-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-9H-carbazol-3-yl]phenyl]carbazole;3-fluoro-6-(9-phenylcarbazol-3-yl)-9H-carbazole;3-(9-phenylcarbazol-3-yl)-6-(trifluoromethyl)-9H-carbazole is sourced from PubChem (CID 159416179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).