8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine

C112H117ClN4S2 — CID 164977301

About 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine

8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine (PubChem CID 164977301) has the molecular formula C112H117ClN4S2 and a molecular weight of 1618.78 g/mol. Its IUPAC name is 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine.

Molecular Properties

• Compound Name: 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine
• PubChem CID: 164977301
• Molecular Formula: C112H117ClN4S2
• Molecular Weight: 1618.78 g/mol
• Exact Mass: 1616.84
• IUPAC Name: 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine
• SMILES: CC(C)(C)c1ccc(NC2=CSC(C)(c3ccccc3)C2(C)c2ccccc2)cc1.Cc1cc(Cl)cc(-n2c3c(c4cc(C(C)(C)C)ccc42)C(C)(C)c2ccccc2-3)c1.Cc1cc(N(C2=CSC(C)(c3ccccc3)C2(C)c2ccccc2)c2ccc(C(C)(C)C)cc2)cc(-n2c3c(c4cc(C(C)(C)C)ccc42)C(C)(C)c2ccccc2-3)c1
• InChI: InChI=1S/C56H58N2S.C28H28ClN.C28H31NS/c1-37-32-43(35-44(33-37)58-48-31-28-41(53(5,6)7)34-46(48)50-51(58)45-24-18-19-25-47(45)54(50,8)9)57(42-29-26-38(27-30-42)52(2,3)4)49-36-59-56(11,40-22-16-13-17-23-40)55(49,10)39-20-14-12-15-21-39;1-17-13-19(29)16-20(14-17)30-24-12-11-18(27(2,3)4)15-22(24)25-26(30)21-9-7-8-10-23(21)28(25,5)6;1-26(2,3)21-16-18-24(19-17-21)29-25-20-30-28(5,23-14-10-7-11-15-23)27(25,4)22-12-8-6-9-13-22/h12-36H,1-11H3;7-16H,1-6H3;6-20,29H,1-5H3
• InChIKey: DYVOJOPJVBXCQG-UHFFFAOYSA-N
• XLogP: 31.49
• TPSA: 25.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1618.78
LogP ≤ 5	31.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine?

The IUPAC name of 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine (CID 164977301) is 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine.

What is the SMILES notation for 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine?

The canonical SMILES for 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine is CC(C)(C)c1ccc(NC2=CSC(C)(c3ccccc3)C2(C)c2ccccc2)cc1.Cc1cc(Cl)cc(-n2c3c(c4cc(C(C)(C)C)ccc42)C(C)(C)c2ccccc2-3)c1.Cc1cc(N(C2=CSC(C)(c3ccccc3)C2(C)c2ccccc2)c2ccc(C(C)(C)C)cc2)cc(-n2c3c(c4cc(C(C)(C)C)ccc42)C(C)(C)c2ccccc2-3)c1.

What is the InChIKey of 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine?

The InChIKey is DYVOJOPJVBXCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H58N2S.C28H28ClN.C28H31NS/c1-37-32-43(35-44(33-37)58-48-31-28-41(53(5,6)7)34-46(48)50-51(58)45-24-18-19-25-47(45)54(50,8)9)57(42-29-26-38(27-30-42)52(2,3)4)49-36-59-56(11,40-22-16-13-17-23-40)55(49,10)39-20-14-12-15-21-39;1-17-13-19(29)16-20(14-17)30-24-12-11-18(27(2,3)4)15-22(24)25-26(30)21-9-7-8-10-23(21)28(25,5)6;1-26(2,3)21-16-18-24(19-17-21)29-25-20-30-28(5,23-14-10-7-11-15-23)27(25,4)22-12-8-6-9-13-22/h12-36H,1-11H3;7-16H,1-6H3;6-20,29H,1-5H3.

What are the key properties of 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine?

8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine has a molecular weight of 1618.78 g/mol, XLogP of 31.49, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-tert-butyl-5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole;N-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-methylphenyl]-N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine;N-(4-tert-butylphenyl)-4,5-dimethyl-4,5-diphenylthiophen-3-amine is sourced from PubChem (CID 164977301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).