4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene

C98H62O2 — CID 155333842

About 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene

4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene (PubChem CID 155333842) has the molecular formula C98H62O2 and a molecular weight of 1271.57 g/mol. Its IUPAC name is 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene.

Molecular Properties

• Compound Name: 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene
• PubChem CID: 155333842
• Molecular Formula: C98H62O2
• Molecular Weight: 1271.57 g/mol
• Exact Mass: 1270.47
• IUPAC Name: 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3Oc3c(-c4cccc5c(-c6c7cccc(-c8cccc9ccccc89)c7cc7c(-c8cccc9ccccc89)cccc67)c6cccc(-c7cccc8c7Oc7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1
• InChI: InChI=1S/C98H62O2/c1-5-33-65(34-6-1)97(66-35-7-2-8-36-66)87-55-17-19-59-91(87)99-95-81(53-27-57-89(95)97)75-47-25-51-79-85(75)62-86-76(82-54-28-58-90-96(82)100-92-60-20-18-56-88(92)98(90,67-37-9-3-10-38-67)68-39-11-4-12-40-68)48-26-52-80(86)94(79)93-77-49-23-45-73(71-43-21-31-63-29-13-15-41-69(63)71)83(77)61-84-74(46-24-50-78(84)93)72-44-22-32-64-30-14-16-42-70(64)72/h1-62H
• InChIKey: YDGUVFUTOJERFR-UHFFFAOYSA-N
• XLogP: 25.92
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1271.57
LogP ≤ 5	25.92
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 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene?

The IUPAC name of 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene (CID 155333842) is 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene.

What is the SMILES notation for 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene?

The canonical SMILES for 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3c(-c4cccc5c(-c6c7cccc(-c8cccc9ccccc89)c7cc7c(-c8cccc9ccccc89)cccc67)c6cccc(-c7cccc8c7Oc7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1.

What is the InChIKey of 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene?

The InChIKey is YDGUVFUTOJERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H62O2/c1-5-33-65(34-6-1)97(66-35-7-2-8-36-66)87-55-17-19-59-91(87)99-95-81(53-27-57-89(95)97)75-47-25-51-79-85(75)62-86-76(82-54-28-58-90-96(82)100-92-60-20-18-56-88(92)98(90,67-37-9-3-10-38-67)68-39-11-4-12-40-68)48-26-52-80(86)94(79)93-77-49-23-45-73(71-43-21-31-63-29-13-15-41-69(63)71)83(77)61-84-74(46-24-50-78(84)93)72-44-22-32-64-30-14-16-42-70(64)72/h1-62H.

What are the key properties of 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene?

4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene has a molecular weight of 1271.57 g/mol, XLogP of 25.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene is sourced from PubChem (CID 155333842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).