5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C148H95N3 — CID 158777108

About 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 158777108) has the molecular formula C148H95N3 and a molecular weight of 1915.41 g/mol. Its IUPAC name is 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 158777108
• Molecular Formula: C148H95N3
• Molecular Weight: 1915.41 g/mol
• Exact Mass: 1913.75
• IUPAC Name: 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: Cc1ccc2ccc3c(c2c1)c1c2cc(C)ccc2ccc1n3-c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c1.c1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c1
• InChI: InChI=1S/2C50H31N.C48H33N/c1-4-19-37-32(13-1)16-12-26-40(37)48-43-24-9-7-22-41(43)47(42-23-8-10-25-44(42)48)35-17-11-18-36(31-35)51-45-29-27-33-14-2-5-20-38(33)49(45)50-39-21-6-3-15-34(39)28-30-46(50)51;1-2-15-35-30-37(25-24-32(35)12-1)48-43-22-9-7-20-41(43)47(42-21-8-10-23-44(42)48)36-16-11-17-38(31-36)51-45-28-26-33-13-3-5-18-39(33)49(45)50-40-19-6-4-14-34(40)27-29-46(50)51;1-30-19-21-32-23-25-43-47(41(32)27-30)48-42-28-31(2)20-22-33(42)24-26-44(48)49(43)36-14-10-13-35(29-36)46-39-17-8-6-15-37(39)45(34-11-4-3-5-12-34)38-16-7-9-18-40(38)46/h2*1-31H;3-29H,1-2H3
• InChIKey: IQPHUCFFHOVFLQ-UHFFFAOYSA-N
• XLogP: 41.11
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1915.41
LogP ≤ 5	41.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 158777108) is 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is Cc1ccc2ccc3c(c2c1)c1c2cc(C)ccc2ccc1n3-c1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c1.c1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)c1.

What is the InChIKey of 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is IQPHUCFFHOVFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H31N.C48H33N/c1-4-19-37-32(13-1)16-12-26-40(37)48-43-24-9-7-22-41(43)47(42-23-8-10-25-44(42)48)35-17-11-18-36(31-35)51-45-29-27-33-14-2-5-20-38(33)49(45)50-39-21-6-3-15-34(39)28-30-46(50)51;1-2-15-35-30-37(25-24-32(35)12-1)48-43-22-9-7-20-41(43)47(42-21-8-10-23-44(42)48)36-16-11-17-38(31-36)51-45-28-26-33-13-3-5-18-39(33)49(45)50-40-19-6-4-14-34(40)27-29-46(50)51;1-30-19-21-32-23-25-43-47(41(32)27-30)48-42-28-31(2)20-22-33(42)24-26-44(48)49(43)36-14-10-13-35(29-36)46-39-17-8-6-15-37(39)45(34-11-4-3-5-12-34)38-16-7-9-18-40(38)46/h2*1-31H;3-29H,1-2H3.

What are the key properties of 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 1915.41 g/mol, XLogP of 41.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,19-dimethyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene;12-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 158777108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).