1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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]

C169H114N12 — CID 158200877

About 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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]

1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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 158200877) has the molecular formula C169H114N12 and a molecular weight of 2312.85 g/mol. Its IUPAC name is 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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: 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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: 158200877
• Molecular Formula: C169H114N12
• Molecular Weight: 2312.85 g/mol
• Exact Mass: 2310.93
• IUPAC Name: 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c21.CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c21
• InChI: InChI=1S/2C57H38N4.C55H38N4/c1-56(2)44-28-8-9-29-45(44)57(46-30-10-12-34-50(46)61-49-33-11-7-23-39(49)40-24-15-32-48(57)52(40)61)47-31-16-27-43(51(47)56)55-59-53(41-25-13-19-35-17-3-5-21-37(35)41)58-54(60-55)42-26-14-20-36-18-4-6-22-38(36)42;1-56(2)44-22-8-9-23-45(44)57(46-24-10-12-28-50(46)61-49-27-11-7-19-41(49)42-20-13-26-48(57)52(42)61)47-25-14-21-43(51(47)56)55-59-53(39-31-29-35-15-3-5-17-37(35)33-39)58-54(60-55)40-32-30-36-16-4-6-18-38(36)34-40;1-54(2)42-24-10-11-25-43(42)55(44-26-12-14-30-48(44)59-47-29-13-9-21-40(47)41-23-16-28-46(55)50(41)59)45-27-15-22-39(49(45)54)35-31-33-38(34-32-35)53-57-51(36-17-5-3-6-18-36)56-52(58-53)37-19-7-4-8-20-37/h2*3-34H,1-2H3;3-34H,1-2H3
• InChIKey: GAXNICXYTDKDCP-UHFFFAOYSA-N
• XLogP: 40.20
• TPSA: 130.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2312.85
LogP ≤ 5	40.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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 158200877) is 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c21.CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c21.

What is the InChIKey of 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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 GAXNICXYTDKDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H38N4.C55H38N4/c1-56(2)44-28-8-9-29-45(44)57(46-30-10-12-34-50(46)61-49-33-11-7-23-39(49)40-24-15-32-48(57)52(40)61)47-31-16-27-43(51(47)56)55-59-53(41-25-13-19-35-17-3-5-21-37(35)41)58-54(60-55)42-26-14-20-36-18-4-6-22-38(36)42;1-56(2)44-22-8-9-23-45(44)57(46-24-10-12-28-50(46)61-49-27-11-7-19-41(49)42-20-13-26-48(57)52(42)61)47-25-14-21-43(51(47)56)55-59-53(39-31-29-35-15-3-5-17-37(35)33-39)58-54(60-55)40-32-30-36-16-4-6-18-38(36)34-40;1-54(2)42-24-10-11-25-43(42)55(44-26-12-14-30-48(44)59-47-29-13-9-21-40(47)41-23-16-28-46(55)50(41)59)45-27-15-22-39(49(45)54)35-31-33-38(34-32-35)53-57-51(36-17-5-3-6-18-36)56-52(58-53)37-19-7-4-8-20-37/h2*3-34H,1-2H3;3-34H,1-2H3.

What are the key properties of 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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]?

1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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 2312.85 g/mol, XLogP of 40.20, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[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];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[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 158200877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).