9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole

C181H162N6 — CID 163660856

IUPAC9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1.CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C(C)(C)c2ccccc2)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C63H54N2.C62H60N2.C56H48N2/c1-61(2,45-25-13-8-14-26-45)48-40-54(62(3,4)46-27-15-9-16-28-46)60(55(41-48)63(5,6)47-29-17-10-18-30-47)65-58-37-35-44(43-23-11-7-12-24-43)39-52(58)53-42-49(36-38-59(53)65)64-56-33-21-19-31-50(56)51-32-20-22-34-57(51)64;1-59(2,3)45-27-31-56-52(38-45)53-39-46(60(4,5)6)28-32-57(53)63(56)49-29-33-58-54(40-49)51-34-42(41-20-14-11-15-21-41)26-30-55(51)64(58)50-36-47(61(7,8)43-22-16-12-17-23-43)35-48(37-50)62(9,10)44-24-18-13-19-25-44;1-37-22-26-51-47(30-37)48-31-38(2)23-27-52(48)57(51)45-25-29-54-50(36-45)49-32-40(39-16-10-7-11-17-39)24-28-53(49)58(54)46-34-43(55(3,4)41-18-12-8-13-19-41)33-44(35-46)56(5,6)42-20-14-9-15-21-42/h7-42H,1-6H3;11-40H,1-10H3;7-36H,1-6H3
InChIKeyIUGRGDQEXKLVKQ-UHFFFAOYSA-N
MW2421.33 g/mol
LogP48.14
Rot. Bonds23

About 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole

9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole (PubChem CID 163660856) has the molecular formula C181H162N6 and a molecular weight of 2421.33 g/mol. Its IUPAC name is 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole
PubChem CID163660856
Molecular FormulaC181H162N6
Molecular Weight2421.33 g/mol
Exact Mass2419.29
IUPAC Name9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1.CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C(C)(C)c2ccccc2)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C63H54N2.C62H60N2.C56H48N2/c1-61(2,45-25-13-8-14-26-45)48-40-54(62(3,4)46-27-15-9-16-28-46)60(55(41-48)63(5,6)47-29-17-10-18-30-47)65-58-37-35-44(43-23-11-7-12-24-43)39-52(58)53-42-49(36-38-59(53)65)64-56-33-21-19-31-50(56)51-32-20-22-34-57(51)64;1-59(2,3)45-27-31-56-52(38-45)53-39-46(60(4,5)6)28-32-57(53)63(56)49-29-33-58-54(40-49)51-34-42(41-20-14-11-15-21-41)26-30-55(51)64(58)50-36-47(61(7,8)43-22-16-12-17-23-43)35-48(37-50)62(9,10)44-24-18-13-19-25-44;1-37-22-26-51-47(30-37)48-31-38(2)23-27-52(48)57(51)45-25-29-54-50(36-45)49-32-40(39-16-10-7-11-17-39)24-28-53(49)58(54)46-34-43(55(3,4)41-18-12-8-13-19-41)33-44(35-46)56(5,6)42-20-14-9-15-21-42/h7-42H,1-6H3;11-40H,1-10H3;7-36H,1-6H3
InChIKeyIUGRGDQEXKLVKQ-UHFFFAOYSA-N
XLogP48.14
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms187
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002421.33
LogP ≤ 548.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole with MolForge

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Related Compounds

3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]carbazole
CID 162480082
9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 162480019
3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480023
3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480016
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
9-tert-butylcarbazole;9-(3-tert-butyl-5-carbazol-9-ylphenyl)carbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole;3-(3-tert-butylphenyl)-9-(4-phenylphenyl)carbazole
CID 159174538
9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole
CID 162176343
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-di(carbazol-9-yl)-9-(3-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(3-phenylphenyl)carbazole
CID 161086909
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole (CID 163660856) is 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1.CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C(C)(C)c2ccccc2)c1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole?
The InChIKey is IUGRGDQEXKLVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N2.C62H60N2.C56H48N2/c1-61(2,45-25-13-8-14-26-45)48-40-54(62(3,4)46-27-15-9-16-28-46)60(55(41-48)63(5,6)47-29-17-10-18-30-47)65-58-37-35-44(43-23-11-7-12-24-43)39-52(58)53-42-49(36-38-59(53)65)64-56-33-21-19-31-50(56)51-32-20-22-34-57(51)64;1-59(2,3)45-27-31-56-52(38-45)53-39-46(60(4,5)6)28-32-57(53)63(56)49-29-33-58-54(40-49)51-34-42(41-20-14-11-15-21-41)26-30-55(51)64(58)50-36-47(61(7,8)43-22-16-12-17-23-43)35-48(37-50)62(9,10)44-24-18-13-19-25-44;1-37-22-26-51-47(30-37)48-31-38(2)23-27-52(48)57(51)45-25-29-54-50(36-45)49-32-40(39-16-10-7-11-17-39)24-28-53(49)58(54)46-34-43(55(3,4)41-18-12-8-13-19-41)33-44(35-46)56(5,6)42-20-14-9-15-21-42/h7-42H,1-6H3;11-40H,1-10H3;7-36H,1-6H3.
What are the key properties of 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole?
9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole has a molecular weight of 2421.33 g/mol, XLogP of 48.14, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-ditert-butylcarbazol-9-yl)-6-phenylcarbazole;9-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-(3,6-dimethylcarbazol-9-yl)-6-phenylcarbazole;3-carbazol-9-yl-6-phenyl-9-[2,4,6-tris(2-phenylpropan-2-yl)phenyl]carbazole is sourced from PubChem (CID 163660856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).