4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline

C66H54N2 — CID 90201329

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline (PubChem CID 90201329) has the molecular formula C66H54N2 and a molecular weight of 875.17 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline
• PubChem CID: 90201329
• Molecular Formula: C66H54N2
• Molecular Weight: 875.17 g/mol
• Exact Mass: 874.43
• IUPAC Name: 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2N2c3ccc(-c4ccccc4)cc3C(C)(C)c3cc(C4=CC=C(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)CC4)cc1c32
• InChI: InChI=1S/C66H54N2/c1-65(2)58-41-52(47-21-13-7-14-22-47)31-39-62(58)68-63-40-32-53(48-23-15-8-16-24-48)42-59(63)66(3,4)61-44-54(43-60(65)64(61)68)51-29-37-57(38-30-51)67(55-33-25-49(26-34-55)45-17-9-5-10-18-45)56-35-27-50(28-36-56)46-19-11-6-12-20-46/h5-29,31-37,39-44H,30,38H2,1-4H3
• InChIKey: JTJYCWBYSGRDNE-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.17
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline?

The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline (CID 90201329) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline.

What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline?

The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline is CC1(C)c2cc(-c3ccccc3)ccc2N2c3ccc(-c4ccccc4)cc3C(C)(C)c3cc(C4=CC=C(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)CC4)cc1c32.

What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline?

The InChIKey is JTJYCWBYSGRDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N2/c1-65(2)58-41-52(47-21-13-7-14-22-47)31-39-62(58)68-63-40-32-53(48-23-15-8-16-24-48)42-59(63)66(3,4)61-44-54(43-60(65)64(61)68)51-29-37-57(38-30-51)67(55-33-25-49(26-34-55)45-17-9-5-10-18-45)56-35-27-50(28-36-56)46-19-11-6-12-20-46/h5-29,31-37,39-44H,30,38H2,1-4H3.

What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline?

4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline has a molecular weight of 875.17 g/mol, XLogP of 18.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline is sourced from PubChem (CID 90201329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).