4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C139H159N3 — CID 157313147

IUPAC4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(C4c5ccccc5-c5ccccc54)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H]
InChIInChI=1S/C50H61N.C49H49N.C40H49N/c1-46(2,3)34-26-33(27-35(28-34)47(4,5)6)40-24-25-42-44(45(40)50(13,14)15)43-39(32-20-17-16-18-21-32)22-19-23-41(43)51(42)38-30-36(48(7,8)9)29-37(31-38)49(10,11)12;1-47(2,3)32-28-33(48(4,5)6)30-34(29-32)50-41-25-17-24-35(31-18-11-10-12-19-31)44(41)45-42(50)27-26-40(46(45)49(7,8)9)43-38-22-15-13-20-36(38)37-21-14-16-23-39(37)43;1-37(2,3)27-23-28(38(4,5)6)25-29(24-27)41-32-20-16-19-30(26-17-14-13-15-18-26)34(32)35-33(41)22-21-31(39(7,8)9)36(35)40(10,11)12/h16-31H,1-15H3;10-30,43H,1-9H3;13-25H,1-12H3/i16D,17D,18D,20D,21D;10D,11D,12D,18D,19D;13D,14D,15D,17D,18D
InChIKeyBDGRPFBQBVOSGL-VNXFKPPJSA-N
MW1886.91 g/mol
LogP39.75
Rot. Bonds8

About 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole

4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 157313147) has the molecular formula C139H159N3 and a molecular weight of 1886.91 g/mol. Its IUPAC name is 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

Compound Name4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
PubChem CID157313147
Molecular FormulaC139H159N3
Molecular Weight1886.91 g/mol
Exact Mass1885.35
IUPAC Name4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(C4c5ccccc5-c5ccccc54)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H]
InChIInChI=1S/C50H61N.C49H49N.C40H49N/c1-46(2,3)34-26-33(27-35(28-34)47(4,5)6)40-24-25-42-44(45(40)50(13,14)15)43-39(32-20-17-16-18-21-32)22-19-23-41(43)51(42)38-30-36(48(7,8)9)29-37(31-38)49(10,11)12;1-47(2,3)32-28-33(48(4,5)6)30-34(29-32)50-41-25-17-24-35(31-18-11-10-12-19-31)44(41)45-42(50)27-26-40(46(45)49(7,8)9)43-38-22-15-13-20-36(38)37-21-14-16-23-39(37)43;1-37(2,3)27-23-28(38(4,5)6)25-29(24-27)41-32-20-16-19-30(26-17-14-13-15-18-26)34(32)35-33(41)22-21-31(39(7,8)9)36(35)40(10,11)12/h16-31H,1-15H3;10-30,43H,1-9H3;13-25H,1-12H3/i16D,17D,18D,20D,21D;10D,11D,12D,18D,19D;13D,14D,15D,17D,18D
InChIKeyBDGRPFBQBVOSGL-VNXFKPPJSA-N
XLogP39.75
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001886.91
LogP ≤ 539.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole with MolForge

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Related Compounds

4-tert-butyl-5-(3,5-ditert-butylphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 158612142
4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164928466
4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 158942871
3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 146579007
4-tert-butyl-3-(3,6-ditert-butyl-9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 166564237
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
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
4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159479445
3-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-4-methylcarbazole
CID 164845430
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-(3,5-ditert-butylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 153490524
4-tert-butyl-5-[3-tert-butyl-5-[1-[4-[4-tert-butyl-5-(3,5-ditert-butylphenyl)carbazol-9-yl]phenyl]-2-methylpropan-2-yl]phenyl]-3,9-diphenylcarbazole
CID 167289522

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The IUPAC name of 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 157313147) is 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole.
What is the SMILES notation for 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The canonical SMILES for 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(C4c5ccccc5-c5ccccc54)ccc2n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c([2H])c1[2H].
What is the InChIKey of 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The InChIKey is BDGRPFBQBVOSGL-VNXFKPPJSA-N. The full InChI is InChI=1S/C50H61N.C49H49N.C40H49N/c1-46(2,3)34-26-33(27-35(28-34)47(4,5)6)40-24-25-42-44(45(40)50(13,14)15)43-39(32-20-17-16-18-21-32)22-19-23-41(43)51(42)38-30-36(48(7,8)9)29-37(31-38)49(10,11)12;1-47(2,3)32-28-33(48(4,5)6)30-34(29-32)50-41-25-17-24-35(31-18-11-10-12-19-31)44(41)45-42(50)27-26-40(46(45)49(7,8)9)43-38-22-15-13-20-36(38)37-21-14-16-23-39(37)43;1-37(2,3)27-23-28(38(4,5)6)25-29(24-27)41-32-20-16-19-30(26-17-14-13-15-18-26)34(32)35-33(41)22-21-31(39(7,8)9)36(35)40(10,11)12/h16-31H,1-15H3;10-30,43H,1-9H3;13-25H,1-12H3/i16D,17D,18D,20D,21D;10D,11D,12D,18D,19D;13D,14D,15D,17D,18D.
What are the key properties of 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 1886.91 g/mol, XLogP of 39.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 157313147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).