N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine

C198H127N13OSSi — CID 160847054

About N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine

N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine (PubChem CID 160847054) has the molecular formula C198H127N13OSSi and a molecular weight of 2764.44 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine
• PubChem CID: 160847054
• Molecular Formula: C198H127N13OSSi
• Molecular Weight: 2764.44 g/mol
• Exact Mass: 2761.98
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc(-c2ccc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc2c(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4n4c6ccccc6c6c7ccccc7n5c64)cc3)cccc2c1
• InChI: InChI=1S/C56H39N3Si.C50H32N4.C48H29N3S.C44H27N3O/c1-5-18-40(19-6-1)41-32-34-42(35-33-41)57(52-30-17-31-53-55(52)59-51-29-16-14-27-49(51)54-48-26-13-15-28-50(48)58(53)56(54)59)43-36-38-47(39-37-43)60(44-20-7-2-8-21-44,45-22-9-3-10-23-45)46-24-11-4-12-25-46;1-2-13-33(14-3-1)34-25-27-35(28-26-34)51(36-29-31-37(32-30-36)52-42-19-8-4-15-38(42)39-16-5-9-20-43(39)52)46-23-12-24-47-49(46)54-45-22-11-7-18-41(45)48-40-17-6-10-21-44(40)53(47)50(48)54;1-2-14-33-30(12-1)13-9-18-34(33)31-26-28-32(29-27-31)49(43-24-10-19-36-35-15-5-8-25-44(35)52-47(36)43)41-22-11-23-42-46(41)51-40-21-7-4-17-38(40)45-37-16-3-6-20-39(37)50(42)48(45)51;1-2-11-28(12-3-1)29-21-23-30(24-22-29)45(31-25-26-33-32-13-6-9-20-40(32)48-41(33)27-31)38-18-10-19-39-43(38)47-37-17-8-5-15-35(37)42-34-14-4-7-16-36(34)46(39)44(42)47/h1-39H;1-32H;1-29H;1-27H
• InChIKey: SITROXRDNXBXOF-UHFFFAOYSA-N
• XLogP: 50.80
• TPSA: 66.31 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2764.44
LogP ≤ 5	50.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine (CID 160847054) is N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine is c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc(-c2ccc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc2c(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4n4c6ccccc6c6c7ccccc7n5c64)cc3)cccc2c1.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine?

The InChIKey is SITROXRDNXBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3Si.C50H32N4.C48H29N3S.C44H27N3O/c1-5-18-40(19-6-1)41-32-34-42(35-33-41)57(52-30-17-31-53-55(52)59-51-29-16-14-27-49(51)54-48-26-13-15-28-50(48)58(53)56(54)59)43-36-38-47(39-37-43)60(44-20-7-2-8-21-44,45-22-9-3-10-23-45)46-24-11-4-12-25-46;1-2-13-33(14-3-1)34-25-27-35(28-26-34)51(36-29-31-37(32-30-36)52-42-19-8-4-15-38(42)39-16-5-9-20-43(39)52)46-23-12-24-47-49(46)54-45-22-11-7-18-41(45)48-40-17-6-10-21-44(40)53(47)50(48)54;1-2-14-33-30(12-1)13-9-18-34(33)31-26-28-32(29-27-31)49(43-24-10-19-36-35-15-5-8-25-44(35)52-47(36)43)41-22-11-23-42-46(41)51-40-21-7-4-17-38(40)45-37-16-3-6-20-39(37)50(42)48(45)51;1-2-11-28(12-3-1)29-21-23-30(24-22-29)45(31-25-26-33-32-13-6-9-20-40(32)48-41(33)27-31)38-18-10-19-39-43(38)47-37-17-8-5-15-35(37)42-34-14-4-7-16-36(34)46(39)44(42)47/h1-39H;1-32H;1-29H;1-27H.

What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine?

N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine has a molecular weight of 2764.44 g/mol, XLogP of 50.80, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine is sourced from PubChem (CID 160847054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).