21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]

C146H89N3 — CID 158542850

About 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]

21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] (PubChem CID 158542850) has the molecular formula C146H89N3 and a molecular weight of 1885.34 g/mol. Its IUPAC name is 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene].

Molecular Properties

• Compound Name: 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
• PubChem CID: 158542850
• Molecular Formula: C146H89N3
• Molecular Weight: 1885.34 g/mol
• Exact Mass: 1883.71
• IUPAC Name: 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5c5ccc6c(c45)-c4ccccc4C64c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2c(-c2ccc(-c3ccc4ccccc4c3)cc2)nc2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2c(-c2ccc(-c3cccc4ccccc34)cc2)nc2ccccc21
• InChI: InChI=1S/C50H31N.2C48H29N/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)35-26-28-36(29-27-35)49-48-40(39-16-7-11-21-46(39)51-49)30-31-45-47(48)41-17-6-10-20-44(41)50(45)42-18-8-4-14-37(42)38-15-5-9-19-43(38)50;1-2-14-33-30(12-1)13-11-19-34(33)31-24-26-32(27-25-31)47-46-38(37-17-6-10-23-44(37)49-47)28-29-43-45(46)39-18-5-9-22-42(39)48(43)40-20-7-3-15-35(40)36-16-4-8-21-41(36)48;1-2-12-33-29-34(26-23-30(33)11-1)31-21-24-32(25-22-31)47-46-38(37-15-6-10-20-44(37)49-47)27-28-43-45(46)39-16-5-9-19-42(39)48(43)40-17-7-3-13-35(40)36-14-4-8-18-41(36)48/h1-31H;2*1-29H
• InChIKey: HOSWPNDEEIYQSL-UHFFFAOYSA-N
• XLogP: 37.17
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1885.34
LogP ≤ 5	37.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The IUPAC name of 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] (CID 158542850) is 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene].

What is the SMILES notation for 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The canonical SMILES for 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] is c1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5c5ccc6c(c45)-c4ccccc4C64c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2c(-c2ccc(-c3ccc4ccccc4c3)cc2)nc2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2c(-c2ccc(-c3cccc4ccccc34)cc2)nc2ccccc21.

What is the InChIKey of 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The InChIKey is HOSWPNDEEIYQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N.2C48H29N/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)35-26-28-36(29-27-35)49-48-40(39-16-7-11-21-46(39)51-49)30-31-45-47(48)41-17-6-10-20-44(41)50(45)42-18-8-4-14-37(42)38-15-5-9-19-43(38)50;1-2-14-33-30(12-1)13-11-19-34(33)31-24-26-32(27-25-31)47-46-38(37-17-6-10-23-44(37)49-47)28-29-43-45(46)39-18-5-9-22-42(39)48(43)40-20-7-3-15-35(40)36-16-4-8-21-41(36)48;1-2-12-33-29-34(26-23-30(33)11-1)31-21-24-32(25-22-31)47-46-38(37-15-6-10-20-44(37)49-47)27-28-43-45(46)39-16-5-9-19-42(39)48(43)40-17-7-3-13-35(40)36-14-4-8-18-41(36)48/h1-31H;2*1-29H.

What are the key properties of 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] has a molecular weight of 1885.34 g/mol, XLogP of 37.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] is sourced from PubChem (CID 158542850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).