10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine

C131H94N2 — CID 157380076

About 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine

10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine (PubChem CID 157380076) has the molecular formula C131H94N2 and a molecular weight of 1696.21 g/mol. Its IUPAC name is 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine.

Molecular Properties

• Compound Name: 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine
• PubChem CID: 157380076
• Molecular Formula: C131H94N2
• Molecular Weight: 1696.21 g/mol
• Exact Mass: 1694.74
• IUPAC Name: 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)CC5)c4ccc(-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccn4)c4ccc(-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4nccc5ccccc45)c4ccc(-c5ccccc5)cc34)cc21
• InChI: InChI=1S/C47H34.C44H31N.C40H29N/c1-47(2)42-18-9-8-14-34(42)35-24-23-33(28-43(35)47)45-37-15-6-7-16-38(37)46(39-25-21-31-20-19-30-13-10-17-36(39)44(30)31)40-26-22-32(27-41(40)45)29-11-4-3-5-12-29;1-44(2)39-19-11-10-16-33(39)34-22-21-31(27-40(34)44)41-35-17-8-9-18-36(35)42(43-32-15-7-6-14-29(32)24-25-45-43)37-23-20-30(26-38(37)41)28-12-4-3-5-13-28;1-40(2)35-17-9-8-14-29(35)30-21-20-28(25-36(30)40)38-31-15-6-7-16-32(31)39(37-18-10-11-23-41-37)33-22-19-27(24-34(33)38)26-12-4-3-5-13-26/h3-18,21-28H,19-20H2,1-2H3;3-27H,1-2H3;3-25H,1-2H3
• InChIKey: BKTVYYUMEATKEX-UHFFFAOYSA-N
• XLogP: 35.10
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1696.21
LogP ≤ 5	35.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine?

The IUPAC name of 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine (CID 157380076) is 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine.

What is the SMILES notation for 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine?

The canonical SMILES for 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)CC5)c4ccc(-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccn4)c4ccc(-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4nccc5ccccc45)c4ccc(-c5ccccc5)cc34)cc21.

What is the InChIKey of 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine?

The InChIKey is BKTVYYUMEATKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34.C44H31N.C40H29N/c1-47(2)42-18-9-8-14-34(42)35-24-23-33(28-43(35)47)45-37-15-6-7-16-38(37)46(39-25-21-31-20-19-30-13-10-17-36(39)44(30)31)40-26-22-32(27-41(40)45)29-11-4-3-5-12-29;1-44(2)39-19-11-10-16-33(39)34-22-21-31(27-40(34)44)41-35-17-8-9-18-36(35)42(43-32-15-7-6-14-29(32)24-25-45-43)37-23-20-30(26-38(37)41)28-12-4-3-5-13-28;1-40(2)35-17-9-8-14-29(35)30-21-20-28(25-36(30)40)38-31-15-6-7-16-32(31)39(37-18-10-11-23-41-37)33-22-19-27(24-34(33)38)26-12-4-3-5-13-26/h3-18,21-28H,19-20H2,1-2H3;3-27H,1-2H3;3-25H,1-2H3.

What are the key properties of 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine?

10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine has a molecular weight of 1696.21 g/mol, XLogP of 35.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine is sourced from PubChem (CID 157380076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).