6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine

C264H188N4O2S2 — CID 157221253

About 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine

6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine (PubChem CID 157221253) has the molecular formula C264H188N4O2S2 and a molecular weight of 3512.57 g/mol. Its IUPAC name is 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine.

Molecular Properties

• Compound Name: 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine
• PubChem CID: 157221253
• Molecular Formula: C264H188N4O2S2
• Molecular Weight: 3512.57 g/mol
• Exact Mass: 3509.42
• IUPAC Name: 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine
• SMILES: CC1(C)c2ccccc2Oc2c(-c3ccccc3-c3cccc4c(-c5ccccc5)c5cccc(-c6ccccc6-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.CC1(C)c2ccccc2Sc2c(-c3ccccc3-c3cccc4c(-c5ccccc5)c5cccc(-c6ccccc6-c6cccc7c6Sc6ccccc6C7(C)C)c5cc34)cccc21.CN1c2ccccc2C(C)(C)c2cccc(-c3ccccc3-c3cccc4c(-c5ccccc5)c5cccc(-c6ccccc6-c6cccc7c6N(C)c6ccccc6C7(C)C)c5cc34)c21.c1ccc(-c2c3cccc(-c4cc5ccccc5cc4-c4cccc5c4c4cccc6c7ccccc7n5c64)c3cc3c(-c4cc5ccccc5cc4-c4cccc5c4c4cccc6c7ccccc7n5c64)cccc23)cc1
• InChI: InChI=1S/C76H44N2.C64H52N2.C62H46O2.C62H46S2/c1-2-18-45(19-3-1)72-54-28-12-26-50(62-40-46-20-4-6-22-48(46)42-64(62)56-30-16-38-70-73(56)60-34-14-32-58-52-24-8-10-36-68(52)77(70)75(58)60)66(54)44-67-51(27-13-29-55(67)72)63-41-47-21-5-7-23-49(47)43-65(63)57-31-17-39-71-74(57)61-35-15-33-59-53-25-9-11-37-69(53)78(71)76(59)61;1-63(2)54-34-14-16-38-58(54)65(5)61-50(32-20-36-56(61)63)44-26-12-10-24-42(44)46-28-18-30-48-52(46)40-53-47(29-19-31-49(53)60(48)41-22-8-7-9-23-41)43-25-11-13-27-45(43)51-33-21-37-57-62(51)66(6)59-39-17-15-35-55(59)64(57,3)4;2*1-61(2)52-32-12-14-36-56(52)63-59-48(30-18-34-54(59)61)42-24-10-8-22-40(42)44-26-16-28-46-50(44)38-51-45(27-17-29-47(51)58(46)39-20-6-5-7-21-39)41-23-9-11-25-43(41)49-31-19-35-55-60(49)64-57-37-15-13-33-53(57)62(55,3)4/h1-44H;7-40H,1-6H3;2*5-38H,1-4H3
• InChIKey: ATAAJCHHXUHTJD-UHFFFAOYSA-N
• XLogP: 73.18
• TPSA: 33.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3512.57
LogP ≤ 5	73.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine?

The IUPAC name of 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine (CID 157221253) is 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine.

What is the SMILES notation for 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine?

The canonical SMILES for 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine is CC1(C)c2ccccc2Oc2c(-c3ccccc3-c3cccc4c(-c5ccccc5)c5cccc(-c6ccccc6-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.CC1(C)c2ccccc2Sc2c(-c3ccccc3-c3cccc4c(-c5ccccc5)c5cccc(-c6ccccc6-c6cccc7c6Sc6ccccc6C7(C)C)c5cc34)cccc21.CN1c2ccccc2C(C)(C)c2cccc(-c3ccccc3-c3cccc4c(-c5ccccc5)c5cccc(-c6ccccc6-c6cccc7c6N(C)c6ccccc6C7(C)C)c5cc34)c21.c1ccc(-c2c3cccc(-c4cc5ccccc5cc4-c4cccc5c4c4cccc6c7ccccc7n5c64)c3cc3c(-c4cc5ccccc5cc4-c4cccc5c4c4cccc6c7ccccc7n5c64)cccc23)cc1.

What is the InChIKey of 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine?

The InChIKey is ATAAJCHHXUHTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H44N2.C64H52N2.C62H46O2.C62H46S2/c1-2-18-45(19-3-1)72-54-28-12-26-50(62-40-46-20-4-6-22-48(46)42-64(62)56-30-16-38-70-73(56)60-34-14-32-58-52-24-8-10-36-68(52)77(70)75(58)60)66(54)44-67-51(27-13-29-55(67)72)63-41-47-21-5-7-23-49(47)43-65(63)57-31-17-39-71-74(57)61-35-15-33-59-53-25-9-11-37-69(53)78(71)76(59)61;1-63(2)54-34-14-16-38-58(54)65(5)61-50(32-20-36-56(61)63)44-26-12-10-24-42(44)46-28-18-30-48-52(46)40-53-47(29-19-31-49(53)60(48)41-22-8-7-9-23-41)43-25-11-13-27-45(43)51-33-21-37-57-62(51)66(6)59-39-17-15-35-55(59)64(57,3)4;2*1-61(2)52-32-12-14-36-56(52)63-59-48(30-18-34-54(59)61)42-24-10-8-22-40(42)44-26-16-28-46-50(44)38-51-45(27-17-29-47(51)58(46)39-20-6-5-7-21-39)41-23-9-11-25-43(41)49-31-19-35-55-60(49)64-57-37-15-13-33-53(57)62(55,3)4/h1-44H;7-40H,1-6H3;2*5-38H,1-4H3.

What are the key properties of 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine?

6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine has a molecular weight of 3512.57 g/mol, XLogP of 73.18, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[8-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-[2-[8-[2-(9,9-dimethylthioxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylthioxanthene;4-[2-[8-[2-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylanthracen-1-yl]phenyl]-9,9-dimethylxanthene;9,9,10-trimethyl-4-[2-[10-phenyl-8-[2-(9,9,10-trimethylacridin-4-yl)phenyl]anthracen-1-yl]phenyl]acridine is sourced from PubChem (CID 157221253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).