10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene

C152H105N9 — CID 159559491

About 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene

10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene (PubChem CID 159559491) has the molecular formula C152H105N9 and a molecular weight of 2057.57 g/mol. Its IUPAC name is 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
• PubChem CID: 159559491
• Molecular Formula: C152H105N9
• Molecular Weight: 2057.57 g/mol
• Exact Mass: 2055.85
• IUPAC Name: 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
• SMILES: CC1(C)c2ccccc2-c2nc3ccc4ccccc4c3c(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c21.CC1(C)c2ccccc2-c2nc3ccc4ccccc4c3c(-c3ccc(-c4ccc5c(c4)c4cccnc4n5-c4ccccn4)cc3)c21.CC1(C)c2ccccc2-c2nc3ccc4ccccc4c3c(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6cccnc6)cc5)n4)cc3)c21
• InChI: InChI=1S/C55H38N4.C53H37N.C44H30N4/c1-55(2)46-17-9-8-16-45(46)53-52(55)50(51-44-15-7-6-13-38(44)30-31-47(51)57-53)41-26-28-42(29-27-41)54-58-48(39-22-18-36(19-23-39)35-11-4-3-5-12-35)33-49(59-54)40-24-20-37(21-25-40)43-14-10-32-56-34-43;1-52(2)44-23-13-12-22-43(44)51-50(52)48(49-40-20-10-9-15-35(40)30-32-47(49)54-51)36-27-25-34(26-28-36)37-29-31-42-41-21-11-14-24-45(41)53(46(42)33-37,38-16-5-3-6-17-38)39-18-7-4-8-19-39;1-44(2)35-14-6-5-12-33(35)42-41(44)39(40-31-11-4-3-10-28(31)20-22-36(40)47-42)29-18-16-27(17-19-29)30-21-23-37-34(26-30)32-13-9-25-46-43(32)48(37)38-15-7-8-24-45-38/h3-34H,1-2H3;3-33H,1-2H3;3-26H,1-2H3
• InChIKey: MGKORRCKCWOUAO-UHFFFAOYSA-N
• XLogP: 38.19
• TPSA: 108.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2057.57
LogP ≤ 5	38.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?

The IUPAC name of 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene (CID 159559491) is 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene.

What is the SMILES notation for 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?

The canonical SMILES for 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene is CC1(C)c2ccccc2-c2nc3ccc4ccccc4c3c(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c21.CC1(C)c2ccccc2-c2nc3ccc4ccccc4c3c(-c3ccc(-c4ccc5c(c4)c4cccnc4n5-c4ccccn4)cc3)c21.CC1(C)c2ccccc2-c2nc3ccc4ccccc4c3c(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6cccnc6)cc5)n4)cc3)c21.

What is the InChIKey of 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?

The InChIKey is MGKORRCKCWOUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4.C53H37N.C44H30N4/c1-55(2)46-17-9-8-16-45(46)53-52(55)50(51-44-15-7-6-13-38(44)30-31-47(51)57-53)41-26-28-42(29-27-41)54-58-48(39-22-18-36(19-23-39)35-11-4-3-5-12-35)33-49(59-54)40-24-20-37(21-25-40)43-14-10-32-56-34-43;1-52(2)44-23-13-12-22-43(44)51-50(52)48(49-40-20-10-9-15-35(40)30-32-47(49)54-51)36-27-25-34(26-28-36)37-29-31-42-41-21-11-14-24-45(41)53(46(42)33-37,38-16-5-3-6-17-38)39-18-7-4-8-19-39;1-44(2)35-14-6-5-12-33(35)42-41(44)39(40-31-11-4-3-10-28(31)20-22-36(40)47-42)29-18-16-27(17-19-29)30-21-23-37-34(26-30)32-13-9-25-46-43(32)48(37)38-15-7-8-24-45-38/h3-34H,1-2H3;3-33H,1-2H3;3-26H,1-2H3.

What are the key properties of 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?

10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene has a molecular weight of 2057.57 g/mol, XLogP of 38.19, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 159559491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).