9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole

C161H164N6 — CID 161279179

IUPAC9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole
SMILESCC(C)(C)c1c2c(cc3c4ccccc4n(-c4ccccc4)c13)c1ccccc1n2-c1ccccc1.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-n3c4ccccc4c4cccc(C(C)(C)C)c43)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4C(C)(C)C)c23)cc(C(C)(C)C)c1.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc4c5ccccc5n(-c5c([2H])c([2H])c([2H])c(C)c5[2H])c4c(C(C)(C)C)c32)c([2H])c1[2H]
InChIInChI=1S/C50H61N.C42H45N.C35H30N2.C34H28N2/c1-46(2,3)36-24-34(25-37(30-36)47(4,5)6)32-23-33(35-26-38(48(7,8)9)31-39(27-35)49(10,11)12)29-40(28-32)51-44-22-17-16-19-41(44)42-20-18-21-43(45(42)51)50(13,14)15;1-40(2,3)30-25-29(26-31(27-30)41(4,5)6)33-21-15-22-35-34-19-13-14-23-36(34)43(39(33)35)37-24-16-20-32(38(37)42(7,8)9)28-17-11-10-12-18-28;1-23-13-12-16-25(21-23)37-31-20-11-9-18-27(31)29-22-28-26-17-8-10-19-30(26)36(24-14-6-5-7-15-24)33(28)32(34(29)37)35(2,3)4;1-34(2,3)31-32-27(25-18-10-12-20-29(25)35(32)23-14-6-4-7-15-23)22-28-26-19-11-13-21-30(26)36(33(28)31)24-16-8-5-9-17-24/h16-31H,1-15H3;10-27H,1-9H3;5-22H,1-4H3;4-22H,1-3H3/i;;5D,6D,7D,12D,13D,14D,15D,16D,21D;
InChIKeyVEVRPECYHMPSOS-OANXGJECSA-N
MW2192.18 g/mol
LogP45.28
Rot. Bonds10

About 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole

9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole (PubChem CID 161279179) has the molecular formula C161H164N6 and a molecular weight of 2192.18 g/mol. Its IUPAC name is 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole.

Molecular Properties

Compound Name9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole
PubChem CID161279179
Molecular FormulaC161H164N6
Molecular Weight2192.18 g/mol
Exact Mass2190.36
IUPAC Name9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole
SMILESCC(C)(C)c1c2c(cc3c4ccccc4n(-c4ccccc4)c13)c1ccccc1n2-c1ccccc1.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-n3c4ccccc4c4cccc(C(C)(C)C)c43)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4C(C)(C)C)c23)cc(C(C)(C)C)c1.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc4c5ccccc5n(-c5c([2H])c([2H])c([2H])c(C)c5[2H])c4c(C(C)(C)C)c32)c([2H])c1[2H]
InChIInChI=1S/C50H61N.C42H45N.C35H30N2.C34H28N2/c1-46(2,3)36-24-34(25-37(30-36)47(4,5)6)32-23-33(35-26-38(48(7,8)9)31-39(27-35)49(10,11)12)29-40(28-32)51-44-22-17-16-19-41(44)42-20-18-21-43(45(42)51)50(13,14)15;1-40(2,3)30-25-29(26-31(27-30)41(4,5)6)33-21-15-22-35-34-19-13-14-23-36(34)43(39(33)35)37-24-16-20-32(38(37)42(7,8)9)28-17-11-10-12-18-28;1-23-13-12-16-25(21-23)37-31-20-11-9-18-27(31)29-22-28-26-17-8-10-19-30(26)36(24-14-6-5-7-15-24)33(28)32(34(29)37)35(2,3)4;1-34(2,3)31-32-27(25-18-10-12-20-29(25)35(32)23-14-6-4-7-15-23)22-28-26-19-11-13-21-30(26)36(33(28)31)24-16-8-5-9-17-24/h16-31H,1-15H3;10-27H,1-9H3;5-22H,1-4H3;4-22H,1-3H3/i;;5D,6D,7D,12D,13D,14D,15D,16D,21D;
InChIKeyVEVRPECYHMPSOS-OANXGJECSA-N
XLogP45.28
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002192.18
LogP ≤ 545.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole with MolForge

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Related Compounds

6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 165061030
1-tert-butyl-9-(4-tert-butylphenyl)carbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;1-tert-butyl-9-(4-phenylphenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-(3,5-ditert-butylphenyl)carbazole
CID 158165439
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole
CID 163689607
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole;methane
CID 159595531
1-tert-butyl-2-carbazol-9-yl-9-phenylcarbazole;9-(2-tert-butyl-3-carbazol-9-ylphenyl)carbazole;9-(2-tert-butyl-3-phenylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[2-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole
CID 165024093
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole;4-tert-butyl-3-carbazol-9-yl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5,9-diphenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-9-phenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;3,4-ditert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164994587
2,7-ditert-butyl-9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2-tert-butylphenyl)carbazole;2,7-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole;2,7-ditert-butyl-9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole
CID 167559301
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159330147
1-tert-butyl-2-carbazol-9-yl-9-phenylcarbazole;9-(2-tert-butyl-3-carbazol-9-ylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole;9-(2-tert-butyl-3-phenylphenyl)carbazole;3,6-ditert-butyl-9-[2-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole;3,6-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole
CID 159023225
9-(2-tert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2-tert-butylphenyl)-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole
CID 163457521
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;1-tert-butyl-2,9-diphenyldibenzofuran;1-tert-butyl-9-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;1,2-ditert-butyl-9-phenyldibenzofuran
CID 165096728
9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butyl-2-(3,6-ditert-butylcarbazol-9-yl)carbazole;9-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-tert-butyl-2-(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 159726780

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole?
The IUPAC name of 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole (CID 161279179) is 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole.
What is the SMILES notation for 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole?
The canonical SMILES for 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole is CC(C)(C)c1c2c(cc3c4ccccc4n(-c4ccccc4)c13)c1ccccc1n2-c1ccccc1.CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-n3c4ccccc4c4cccc(C(C)(C)C)c43)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc3c4ccccc4n(-c4cccc(-c5ccccc5)c4C(C)(C)C)c23)cc(C(C)(C)C)c1.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc4c5ccccc5n(-c5c([2H])c([2H])c([2H])c(C)c5[2H])c4c(C(C)(C)C)c32)c([2H])c1[2H].
What is the InChIKey of 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole?
The InChIKey is VEVRPECYHMPSOS-OANXGJECSA-N. The full InChI is InChI=1S/C50H61N.C42H45N.C35H30N2.C34H28N2/c1-46(2,3)36-24-34(25-37(30-36)47(4,5)6)32-23-33(35-26-38(48(7,8)9)31-39(27-35)49(10,11)12)29-40(28-32)51-44-22-17-16-19-41(44)42-20-18-21-43(45(42)51)50(13,14)15;1-40(2,3)30-25-29(26-31(27-30)41(4,5)6)33-21-15-22-35-34-19-13-14-23-36(34)43(39(33)35)37-24-16-20-32(38(37)42(7,8)9)28-17-11-10-12-18-28;1-23-13-12-16-25(21-23)37-31-20-11-9-18-27(31)29-22-28-26-17-8-10-19-30(26)36(24-14-6-5-7-15-24)33(28)32(34(29)37)35(2,3)4;1-34(2,3)31-32-27(25-18-10-12-20-29(25)35(32)23-14-6-4-7-15-23)22-28-26-19-11-13-21-30(26)36(33(28)31)24-16-8-5-9-17-24/h16-31H,1-15H3;10-27H,1-9H3;5-22H,1-4H3;4-22H,1-3H3/i;;5D,6D,7D,12D,13D,14D,15D,16D,21D;.
What are the key properties of 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole?
9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole has a molecular weight of 2192.18 g/mol, XLogP of 45.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-tert-butylcarbazole;6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole is sourced from PubChem (CID 161279179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).