14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

C69H71N5 — CID 170933442

About 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (PubChem CID 170933442) has the molecular formula C69H71N5 and a molecular weight of 970.36 g/mol. Its IUPAC name is 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
• PubChem CID: 170933442
• Molecular Formula: C69H71N5
• Molecular Weight: 970.36 g/mol
• Exact Mass: 969.57
• IUPAC Name: 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
• SMILES: Cc1ccc2c(c1)c1cc3c(cc1n2-c1cc(C(C)(C)C)ccn1)N(c1cc(C2=N[C@]4(C)c5ccc(C)c(C)c5C[C@]4(C)N2c2c(C)cc(C)c(C)c2C)cc(-c2c(C)cccc2C)c1)c1ccccc1C3(C)C
• InChI: InChI=1S/C69H71N5/c1-39-24-27-58-52(30-39)53-36-57-61(37-60(53)73(58)62-35-50(28-29-70-62)66(10,11)12)72(59-23-18-17-22-56(59)67(57,13)14)51-33-48(63-41(3)20-19-21-42(63)4)32-49(34-51)65-71-69(16)55-26-25-40(2)46(8)54(55)38-68(69,15)74(65)64-44(6)31-43(5)45(7)47(64)9/h17-37H,38H2,1-16H3/t68-,69+/m0/s1
• InChIKey: VJCMJMDMUKONFK-JPFIOEMMSA-N
• XLogP: 17.53
• TPSA: 36.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.36
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

The IUPAC name of 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (CID 170933442) is 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

What is the SMILES notation for 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

The canonical SMILES for 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is Cc1ccc2c(c1)c1cc3c(cc1n2-c1cc(C(C)(C)C)ccn1)N(c1cc(C2=N[C@]4(C)c5ccc(C)c(C)c5C[C@]4(C)N2c2c(C)cc(C)c(C)c2C)cc(-c2c(C)cccc2C)c1)c1ccccc1C3(C)C.

What is the InChIKey of 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

The InChIKey is VJCMJMDMUKONFK-JPFIOEMMSA-N. The full InChI is InChI=1S/C69H71N5/c1-39-24-27-58-52(30-39)53-36-57-61(37-60(53)73(58)62-35-50(28-29-70-62)66(10,11)12)72(59-23-18-17-22-56(59)67(57,13)14)51-33-48(63-41(3)20-19-21-42(63)4)32-49(34-51)65-71-69(16)55-26-25-40(2)46(8)54(55)38-68(69,15)74(65)64-44(6)31-43(5)45(7)47(64)9/h17-37H,38H2,1-16H3/t68-,69+/m0/s1.

What are the key properties of 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?

14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene has a molecular weight of 970.36 g/mol, XLogP of 17.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is sourced from PubChem (CID 170933442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).