N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline

C171H121N7O4Si — CID 157325445

About N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline

N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline (PubChem CID 157325445) has the molecular formula C171H121N7O4Si and a molecular weight of 2365.98 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline.

Molecular Properties

• Compound Name: N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline
• PubChem CID: 157325445
• Molecular Formula: C171H121N7O4Si
• Molecular Weight: 2365.98 g/mol
• Exact Mass: 2363.92
• IUPAC Name: N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline
• SMILES: c1ccc(Oc2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc5c(c4)Oc4cccc6c7ccccc7n-5c46)cc3)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5c(c4)Oc4cccc6c7ccccc7n-5c46)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)Oc5cccc7c8ccccc8n-6c57)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4ccccc34)cccc2c1
• InChI: InChI=1S/C64H44N2OSi.C60H46N2O.C47H31N3O2/c1-4-17-54(18-5-1)68(55-19-6-2-7-20-55,56-21-8-3-9-22-56)57-40-38-53(39-41-57)65(51-34-29-46(30-35-51)49-28-27-45-15-10-11-16-48(45)43-49)52-36-31-47(32-37-52)50-33-42-61-63(44-50)67-62-26-14-24-59-58-23-12-13-25-60(58)66(61)64(59)62;1-2-11-47-42(9-1)10-7-15-48(47)50-28-30-55(51-13-4-3-12-49(50)51)61(46-26-22-44(23-27-46)60-35-38-31-39(36-60)33-40(32-38)37-60)45-24-19-41(20-25-45)43-21-29-56-58(34-43)63-57-18-8-16-53-52-14-5-6-17-54(52)62(56)59(53)57;1-2-7-39(8-3-1)51-40-24-22-38(23-25-40)49(36-18-13-32(14-19-36)34-27-29-48-30-28-34)37-20-15-33(16-21-37)35-17-26-44-46(31-35)52-45-12-6-10-42-41-9-4-5-11-43(41)50(44)47(42)45/h1-44H;1-30,34,38-40H,31-33,35-37H2;1-31H
• InChIKey: BEQWGXYELRUENH-UHFFFAOYSA-N
• XLogP: 43.57
• TPSA: 74.32 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2365.98
LogP ≤ 5	43.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline?

The IUPAC name of N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline (CID 157325445) is N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline.

What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline?

The canonical SMILES for N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline is c1ccc(Oc2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc5c(c4)Oc4cccc6c7ccccc7n-5c46)cc3)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5c(c4)Oc4cccc6c7ccccc7n-5c46)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)Oc5cccc7c8ccccc8n-6c57)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4ccccc34)cccc2c1.

What is the InChIKey of N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline?

The InChIKey is BEQWGXYELRUENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2OSi.C60H46N2O.C47H31N3O2/c1-4-17-54(18-5-1)68(55-19-6-2-7-20-55,56-21-8-3-9-22-56)57-40-38-53(39-41-57)65(51-34-29-46(30-35-51)49-28-27-45-15-10-11-16-48(45)43-49)52-36-31-47(32-37-52)50-33-42-61-63(44-50)67-62-26-14-24-59-58-23-12-13-25-60(58)66(61)64(59)62;1-2-11-47-42(9-1)10-7-15-48(47)50-28-30-55(51-13-4-3-12-49(50)51)61(46-26-22-44(23-27-46)60-35-38-31-39(36-60)33-40(32-38)37-60)45-24-19-41(20-25-45)43-21-29-56-58(34-43)63-57-18-8-16-53-52-14-5-6-17-54(52)62(56)59(53)57;1-2-7-39(8-3-1)51-40-24-22-38(23-25-40)49(36-18-13-32(14-19-36)34-27-29-48-30-28-34)37-20-15-33(16-21-37)35-17-26-44-46(31-35)52-45-12-6-10-42-41-9-4-5-11-43(41)50(44)47(42)45/h1-44H;1-30,34,38-40H,31-33,35-37H2;1-31H.

What are the key properties of N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline?

N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline has a molecular weight of 2365.98 g/mol, XLogP of 43.57, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]naphthalen-1-amine;4-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-triphenylsilylphenyl)aniline;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline is sourced from PubChem (CID 157325445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).