2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline

C110H66N4 — CID 137395647

About 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline

2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline (PubChem CID 137395647) has the molecular formula C110H66N4 and a molecular weight of 1443.77 g/mol. Its IUPAC name is 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline
• PubChem CID: 137395647
• Molecular Formula: C110H66N4
• Molecular Weight: 1443.77 g/mol
• Exact Mass: 1442.53
• IUPAC Name: 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline
• SMILES: c1ccc(C2(c3ccccc3)c3ccc(-c4ccc5c6ccc(-c7cc8ccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9cccc(-c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11)c9-%10)nc8c8ncccc78)cc6c6ccccc6c5c4)cc3-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc32)cc1
• InChI: InChI=1S/C110H66N4/c1-5-23-76(24-6-1)109(77-25-7-2-8-26-77)98-55-47-70(61-97(98)90-53-45-73(65-100(90)109)102-56-48-68-41-40-67-22-20-58-111-105(67)106(68)113-102)69-42-50-88-89-52-44-72(63-96(89)86-36-18-17-35-85(86)94(88)60-69)93-64-75-49-57-103(114-107(75)108-91(93)38-21-59-112-108)74-46-54-92-101(66-74)110(78-27-9-3-10-28-78,79-29-11-4-12-30-79)99-39-19-37-80(104(92)99)71-43-51-87-83-33-14-13-31-81(83)82-32-15-16-34-84(82)95(87)62-71/h1-66H
• InChIKey: HMLLXJHJHGUWHE-UHFFFAOYSA-N
• XLogP: 27.86
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1443.77
LogP ≤ 5	27.86
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 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline?

The IUPAC name of 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline (CID 137395647) is 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline?

The canonical SMILES for 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline is c1ccc(C2(c3ccccc3)c3ccc(-c4ccc5c6ccc(-c7cc8ccc(-c9ccc%10c(c9)C(c9ccccc9)(c9ccccc9)c9cccc(-c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11)c9-%10)nc8c8ncccc78)cc6c6ccccc6c5c4)cc3-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc32)cc1.

What is the InChIKey of 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline?

The InChIKey is HMLLXJHJHGUWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H66N4/c1-5-23-76(24-6-1)109(77-25-7-2-8-26-77)98-55-47-70(61-97(98)90-53-45-73(65-100(90)109)102-56-48-68-41-40-67-22-20-58-111-105(67)106(68)113-102)69-42-50-88-89-52-44-72(63-96(89)86-36-18-17-35-85(86)94(88)60-69)93-64-75-49-57-103(114-107(75)108-91(93)38-21-59-112-108)74-46-54-92-101(66-74)110(78-27-9-3-10-28-78,79-29-11-4-12-30-79)99-39-19-37-80(104(92)99)71-43-51-87-83-33-14-13-31-81(83)82-32-15-16-34-84(82)95(87)62-71/h1-66H.

What are the key properties of 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline?

2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline has a molecular weight of 1443.77 g/mol, XLogP of 27.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-6-[7-[7-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]triphenylen-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 137395647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).