4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene

C145H92N2O2 — CID 160922229

About 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene

4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene (PubChem CID 160922229) has the molecular formula C145H92N2O2 and a molecular weight of 1894.34 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene.

Molecular Properties

• Compound Name: 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene
• PubChem CID: 160922229
• Molecular Formula: C145H92N2O2
• Molecular Weight: 1894.34 g/mol
• Exact Mass: 1892.72
• IUPAC Name: 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)ccc4c3)cc21.c1cc(-c2ccc3cc(-c4cc5ccccc5c5ccccc45)ccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C52H32N2O2.C47H32.C46H28/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)46-32-47(54-52(53-46)36-13-5-2-6-14-36)41-28-39(37-23-25-50-44(30-37)42-15-7-9-17-48(42)55-50)27-40(29-41)38-24-26-51-45(31-38)43-16-8-10-18-49(43)56-51;1-47(2)44-16-6-5-13-39(44)40-22-21-34(28-45(40)47)33-20-19-31-25-30(17-18-32(31)26-33)29-9-7-10-35(27-29)36-23-24-43-38-12-4-3-11-37(38)42-15-8-14-41(36)46(42)43;1-2-12-36-34(9-1)28-45(41-16-6-3-13-38(36)41)35-22-21-31-25-30(19-20-32(31)27-35)29-10-7-11-33(26-29)37-23-24-44-40-15-5-4-14-39(40)43-18-8-17-42(37)46(43)44/h1-32H;3-28H,1-2H3;1-28H
• InChIKey: SSEIKPFCNQQOMP-UHFFFAOYSA-N
• XLogP: 40.17
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1894.34
LogP ≤ 5	40.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene?

The IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene (CID 160922229) is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene.

What is the SMILES notation for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene?

The canonical SMILES for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)ccc4c3)cc21.c1cc(-c2ccc3cc(-c4cc5ccccc5c5ccccc45)ccc3c2)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene?

The InChIKey is SSEIKPFCNQQOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2.C47H32.C46H28/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)46-32-47(54-52(53-46)36-13-5-2-6-14-36)41-28-39(37-23-25-50-44(30-37)42-15-7-9-17-48(42)55-50)27-40(29-41)38-24-26-51-45(31-38)43-16-8-10-18-49(43)56-51;1-47(2)44-16-6-5-13-39(44)40-22-21-34(28-45(40)47)33-20-19-31-25-30(17-18-32(31)26-33)29-9-7-10-35(27-29)36-23-24-43-38-12-4-3-11-37(38)42-15-8-14-41(36)46(42)43;1-2-12-36-34(9-1)28-45(41-16-6-3-13-38(36)41)35-22-21-31-25-30(19-20-32(31)27-35)29-10-7-11-33(26-29)37-23-24-44-40-15-5-4-14-39(40)43-18-8-17-42(37)46(43)44/h1-32H;3-28H,1-2H3;1-28H.

What are the key properties of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene?

4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene has a molecular weight of 1894.34 g/mol, XLogP of 40.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene is sourced from PubChem (CID 160922229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).