16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C149H95N3 — CID 161036102

About 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 161036102) has the molecular formula C149H95N3 and a molecular weight of 1927.42 g/mol. Its IUPAC name is 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 161036102
• Molecular Formula: C149H95N3
• Molecular Weight: 1927.42 g/mol
• Exact Mass: 1925.75
• IUPAC Name: 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: Cc1ccc2ccc3c4c5ccccc5ccc4n(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c3c2c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-n2c3ccc4ccccc4c3c3ccc4ccccc4c32)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccc6ccccc6c5c5cc(-c6ccccc6)c6ccccc6c54)c3)c3ccccc23)cc1
• InChI: InChI=1S/C52H33N.C50H31N.C47H31N/c1-3-16-34(17-4-1)46-33-47-51-39-23-8-7-18-35(39)30-31-48(51)53(52(47)45-29-14-9-24-40(45)46)38-22-15-21-37(32-38)50-43-27-12-10-25-41(43)49(36-19-5-2-6-20-36)42-26-11-13-28-44(42)50;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)51-46-29-27-33-13-3-5-18-39(33)49(46)45-28-26-34-14-4-6-19-40(34)50(45)51;1-30-22-23-32-24-26-41-46-36-17-6-5-12-31(36)25-27-43(46)48(47(41)42(32)28-30)35-16-11-15-34(29-35)45-39-20-9-7-18-37(39)44(33-13-3-2-4-14-33)38-19-8-10-21-40(38)45/h1-33H;1-31H;2-29H,1H3
• InChIKey: UAGQPNRNCXGUFK-UHFFFAOYSA-N
• XLogP: 41.32
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1927.42
LogP ≤ 5	41.32
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 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 161036102) is 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is Cc1ccc2ccc3c4c5ccccc5ccc4n(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c3c2c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-n2c3ccc4ccccc4c3c3ccc4ccccc4c32)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccc6ccccc6c5c5cc(-c6ccccc6)c6ccccc6c54)c3)c3ccccc23)cc1.

What is the InChIKey of 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is UAGQPNRNCXGUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N.C50H31N.C47H31N/c1-3-16-34(17-4-1)46-33-47-51-39-23-8-7-18-35(39)30-31-48(51)53(52(47)45-29-14-9-24-40(45)46)38-22-15-21-37(32-38)50-43-27-12-10-25-41(43)49(36-19-5-2-6-20-36)42-26-11-13-28-44(42)50;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)51-46-29-27-33-13-3-5-18-39(33)49(46)45-28-26-34-14-4-6-19-40(34)50(45)51;1-30-22-23-32-24-26-41-46-36-17-6-5-12-31(36)25-27-43(46)48(47(41)42(32)28-30)35-16-11-15-34(29-35)45-39-20-9-7-18-37(39)44(33-13-3-2-4-14-33)38-19-8-10-21-40(38)45/h1-33H;1-31H;2-29H,1H3.

What are the key properties of 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 1927.42 g/mol, XLogP of 41.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 16-methyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;20-phenyl-12-[3-(10-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 161036102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).