9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene]

C134H95N3 — CID 159127142

About 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene]

9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene] (PubChem CID 159127142) has the molecular formula C134H95N3 and a molecular weight of 1747.26 g/mol. Its IUPAC name is 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene].

Molecular Properties

• Compound Name: 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene]
• PubChem CID: 159127142
• Molecular Formula: C134H95N3
• Molecular Weight: 1747.26 g/mol
• Exact Mass: 1745.75
• IUPAC Name: 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene]
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc(-c4ccccc4)cc3)c21.CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc4ccccc4c3)c21.CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3cccc4ccccc34)c21
• InChI: InChI=1S/C46H33N.2C44H31N/c1-45(2)36-19-7-8-20-37(36)46(39-22-12-17-33(43(39)45)32-28-26-31(27-29-32)30-14-4-3-5-15-30)38-21-9-11-25-42(38)47-41-24-10-6-16-34(41)35-18-13-23-40(46)44(35)47;1-43(2)34-21-6-7-22-35(34)44(37-24-12-19-32(41(37)43)30-18-11-15-28-14-3-4-16-29(28)30)36-23-8-10-27-40(36)45-39-26-9-5-17-31(39)33-20-13-25-38(44)42(33)45;1-43(2)34-18-6-7-19-35(34)44(37-21-11-16-31(41(37)43)30-26-25-28-13-3-4-14-29(28)27-30)36-20-8-10-24-40(36)45-39-23-9-5-15-32(39)33-17-12-22-38(44)42(33)45/h3-29H,1-2H3;2*3-27H,1-2H3
• InChIKey: KGKPEUSWUAHYTN-UHFFFAOYSA-N
• XLogP: 33.33
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1747.26
LogP ≤ 5	33.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene]?

The IUPAC name of 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene] (CID 159127142) is 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene].

What is the SMILES notation for 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene]?

The canonical SMILES for 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene] is CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc(-c4ccccc4)cc3)c21.CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc4ccccc4c3)c21.CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3cccc4ccccc34)c21.

What is the InChIKey of 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene]?

The InChIKey is KGKPEUSWUAHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N.2C44H31N/c1-45(2)36-19-7-8-20-37(36)46(39-22-12-17-33(43(39)45)32-28-26-31(27-29-32)30-14-4-3-5-15-30)38-21-9-11-25-42(38)47-41-24-10-6-16-34(41)35-18-13-23-40(46)44(35)47;1-43(2)34-21-6-7-22-35(34)44(37-24-12-19-32(41(37)43)30-18-11-15-28-14-3-4-16-29(28)30)36-23-8-10-27-40(36)45-39-26-9-5-17-31(39)33-20-13-25-38(44)42(33)45;1-43(2)34-18-6-7-19-35(34)44(37-21-11-16-31(41(37)43)30-26-25-28-13-3-4-14-29(28)27-30)36-20-8-10-24-40(36)45-39-23-9-5-15-32(39)33-17-12-22-38(44)42(33)45/h3-29H,1-2H3;2*3-27H,1-2H3.

What are the key properties of 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene]?

9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene] has a molecular weight of 1747.26 g/mol, XLogP of 33.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9',9'-dimethyl-1'-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-naphthalen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];9',9'-dimethyl-1'-(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-13,10'-anthracene] is sourced from PubChem (CID 159127142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).