4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]

C147H89N9 — CID 159294131

About 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]

4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine] (PubChem CID 159294131) has the molecular formula C147H89N9 and a molecular weight of 1981.39 g/mol. Its IUPAC name is 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine].

Molecular Properties

• Compound Name: 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]
• PubChem CID: 159294131
• Molecular Formula: C147H89N9
• Molecular Weight: 1981.39 g/mol
• Exact Mass: 1979.72
• IUPAC Name: 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)c4c(n3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.c1ccc(-c2ccc(-c3nc4c(c(-c5cccc6ccccc56)n3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)c3c(n2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/2C51H31N3.C45H27N3/c1-2-14-32(15-3-1)33-28-30-35(31-29-33)50-52-47(38-21-12-17-34-16-4-5-18-36(34)38)46-48(53-50)40-20-6-8-23-41(40)51(46)42-24-9-11-27-45(42)54-44-26-10-7-19-37(44)39-22-13-25-43(51)49(39)54;1-2-14-32(15-3-1)33-28-30-35(31-29-33)50-52-47(38-21-12-17-34-16-4-5-18-36(34)38)46-40-20-6-8-23-41(40)51(49(46)53-50)42-24-9-11-27-45(42)54-44-26-10-7-19-37(44)39-22-13-25-43(51)48(39)54;1-2-15-29(16-3-1)44-46-41(32-21-12-17-28-14-4-5-18-30(28)32)40-34-20-6-8-23-35(34)45(43(40)47-44)36-24-9-11-27-39(36)48-38-26-10-7-19-31(38)33-22-13-25-37(45)42(33)48/h2*1-31H;1-27H
• InChIKey: LAMPYDLWRFXVMG-UHFFFAOYSA-N
• XLogP: 35.55
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1981.39
LogP ≤ 5	35.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]?

The IUPAC name of 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine] (CID 159294131) is 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine].

What is the SMILES notation for 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]?

The canonical SMILES for 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine] is c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)c4c(n3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.c1ccc(-c2ccc(-c3nc4c(c(-c5cccc6ccccc56)n3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)c3c(n2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]?

The InChIKey is LAMPYDLWRFXVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H31N3.C45H27N3/c1-2-14-32(15-3-1)33-28-30-35(31-29-33)50-52-47(38-21-12-17-34-16-4-5-18-36(34)38)46-48(53-50)40-20-6-8-23-41(40)51(46)42-24-9-11-27-45(42)54-44-26-10-7-19-37(44)39-22-13-25-43(51)49(39)54;1-2-14-32(15-3-1)33-28-30-35(31-29-33)50-52-47(38-21-12-17-34-16-4-5-18-36(34)38)46-40-20-6-8-23-41(40)51(49(46)53-50)42-24-9-11-27-45(42)54-44-26-10-7-19-37(44)39-22-13-25-43(51)48(39)54;1-2-15-29(16-3-1)44-46-41(32-21-12-17-28-14-4-5-18-30(28)32)40-34-20-6-8-23-35(34)45(43(40)47-44)36-24-9-11-27-39(36)48-38-26-10-7-19-31(38)33-22-13-25-37(45)42(33)48/h2*1-31H;1-27H.

What are the key properties of 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]?

4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine] has a molecular weight of 1981.39 g/mol, XLogP of 35.55, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine] is sourced from PubChem (CID 159294131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).