8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

C42H33N — CID 70892815

About 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 70892815) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

• Compound Name: 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
• PubChem CID: 70892815
• Molecular Formula: C42H33N
• Molecular Weight: 551.73 g/mol
• Exact Mass: 551.26
• IUPAC Name: 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
• SMILES: CC1(C)c2cccc3c2-n2c4c1cc(-c1ccccc1)cc4c1cc(-c4ccc(-c5ccccc5)cc4)cc(c12)C3(C)C
• InChI: InChI=1S/C42H33N/c1-41(2)34-16-11-17-35-40(34)43-38-32(22-30(24-36(38)41)27-14-9-6-10-15-27)33-23-31(25-37(39(33)43)42(35,3)4)29-20-18-28(19-21-29)26-12-7-5-8-13-26/h5-25H,1-4H3
• InChIKey: YNZUBWYIQOAAKG-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.73
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The IUPAC name of 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 70892815) is 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

What is the SMILES notation for 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The canonical SMILES for 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is CC1(C)c2cccc3c2-n2c4c1cc(-c1ccccc1)cc4c1cc(-c4ccc(-c5ccccc5)cc4)cc(c12)C3(C)C.

What is the InChIKey of 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

The InChIKey is YNZUBWYIQOAAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N/c1-41(2)34-16-11-17-35-40(34)43-38-32(22-30(24-36(38)41)27-14-9-6-10-15-27)33-23-31(25-37(39(33)43)42(35,3)4)29-20-18-28(19-21-29)26-12-7-5-8-13-26/h5-25H,1-4H3.

What are the key properties of 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?

8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 551.73 g/mol, XLogP of 11.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 70892815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).