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

C124H136N4 — CID 159726780

About 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

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 (PubChem CID 159726780) has the molecular formula C124H136N4 and a molecular weight of 1692.54 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159726780
• Molecular Formula: C124H136N4
• Molecular Weight: 1692.54 g/mol
• Exact Mass: 1691.14
• IUPAC Name: 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
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-n3c4ccccc4c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c(C(C)(C)C)c43)c2)cc(C(C)(C)C)c1.[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc(-n3c4ccccc4c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c(C(C)(C)C)c43)c2)c([2H])c1[2H]
• InChI: InChI=1S/C70H84N2.C54H52N2/c1-64(2,3)47-26-29-59-56(41-47)57-42-48(65(4,5)6)27-30-60(57)72(59)61-31-28-55-54-24-22-23-25-58(54)71(63(55)62(61)70(19,20)21)53-37-43(45-33-49(66(7,8)9)39-50(34-45)67(10,11)12)32-44(38-53)46-35-51(68(13,14)15)40-52(36-46)69(16,17)18;1-52(2,3)39-24-27-47-44(33-39)45-34-40(53(4,5)6)25-28-48(45)56(47)49-29-26-43-42-22-16-17-23-46(42)55(51(43)50(49)54(7,8)9)41-31-37(35-18-12-10-13-19-35)30-38(32-41)36-20-14-11-15-21-36/h22-42H,1-21H3;10-34H,1-9H3/i;10D,11D,12D,13D,14D,15D,18D,19D,20D,21D
• InChIKey: NASRNZULAHGNKU-BSZGUVMASA-N
• XLogP: 35.40
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1692.54
LogP ≤ 5	35.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-n3c4ccccc4c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c(C(C)(C)C)c43)c2)cc(C(C)(C)C)c1.[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc(-n3c4ccccc4c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c(C(C)(C)C)c43)c2)c([2H])c1[2H].

What is the InChIKey of 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?

The InChIKey is NASRNZULAHGNKU-BSZGUVMASA-N. The full InChI is InChI=1S/C70H84N2.C54H52N2/c1-64(2,3)47-26-29-59-56(41-47)57-42-48(65(4,5)6)27-30-60(57)72(59)61-31-28-55-54-24-22-23-25-58(54)71(63(55)62(61)70(19,20)21)53-37-43(45-33-49(66(7,8)9)39-50(34-45)67(10,11)12)32-44(38-53)46-35-51(68(13,14)15)40-52(36-46)69(16,17)18;1-52(2,3)39-24-27-47-44(33-39)45-34-40(53(4,5)6)25-28-48(45)56(47)49-29-26-43-42-22-16-17-23-46(42)55(51(43)50(49)54(7,8)9)41-31-37(35-18-12-10-13-19-35)30-38(32-41)36-20-14-11-15-21-36/h22-42H,1-21H3;10-34H,1-9H3/i;10D,11D,12D,13D,14D,15D,18D,19D,20D,21D.

What are the key properties of 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?

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 has a molecular weight of 1692.54 g/mol, XLogP of 35.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159726780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).