5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole

C132H82P4 — CID 155333268

About 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole

5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole (PubChem CID 155333268) has the molecular formula C132H82P4 and a molecular weight of 1792.00 g/mol. Its IUPAC name is 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole.

Molecular Properties

• Compound Name: 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole
• PubChem CID: 155333268
• Molecular Formula: C132H82P4
• Molecular Weight: 1792.00 g/mol
• Exact Mass: 1790.54
• IUPAC Name: 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole
• SMILES: c1ccc(-c2cc(-c3c4cccc(-c5cccc6c5c5ccccc5p6-c5ccccc5)c4cc4c(-c5cccc6c5c5ccccc5p6-c5cccc(-c6ccc(-c7cc(-c8c9cccc(-c%10cccc%11c%12ccccc%12p(-c%12ccccc%12)c%10%11)c9cc9c(-c%10cccc%11c%12ccccc%12p(-c%12ccccc%12)c%10%11)cccc89)cc8ccccc78)cc6)c5)cccc34)cc3ccccc23)cc1
• InChI: InChI=1S/C132H82P4/c1-5-34-84(35-6-1)115-79-89(76-87-36-13-15-46-95(87)115)127-105-56-26-52-97(103-60-32-70-125-129(103)113-50-19-23-68-123(113)133(125)91-39-7-2-8-40-91)117(105)81-118-98(53-27-57-106(118)127)104-61-33-71-126-130(104)114-51-20-24-69-124(114)134(126)94-45-25-38-86(78-94)83-72-74-85(75-73-83)116-80-90(77-88-37-14-16-47-96(88)116)128-107-58-28-54-99(109-62-30-64-111-101-48-17-21-66-121(101)135(131(109)111)92-41-9-3-10-42-92)119(107)82-120-100(55-29-59-108(120)128)110-63-31-65-112-102-49-18-22-67-122(102)136(132(110)112)93-43-11-4-12-44-93/h1-82H
• InChIKey: MSBWVYDYADMHIS-UHFFFAOYSA-N
• XLogP: 40.74
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1792.00
LogP ≤ 5	40.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole?

The IUPAC name of 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole (CID 155333268) is 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole.

What is the SMILES notation for 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole?

The canonical SMILES for 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole is c1ccc(-c2cc(-c3c4cccc(-c5cccc6c5c5ccccc5p6-c5ccccc5)c4cc4c(-c5cccc6c5c5ccccc5p6-c5cccc(-c6ccc(-c7cc(-c8c9cccc(-c%10cccc%11c%12ccccc%12p(-c%12ccccc%12)c%10%11)c9cc9c(-c%10cccc%11c%12ccccc%12p(-c%12ccccc%12)c%10%11)cccc89)cc8ccccc78)cc6)c5)cccc34)cc3ccccc23)cc1.

What is the InChIKey of 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole?

The InChIKey is MSBWVYDYADMHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H82P4/c1-5-34-84(35-6-1)115-79-89(76-87-36-13-15-46-95(87)115)127-105-56-26-52-97(103-60-32-70-125-129(103)113-50-19-23-68-123(113)133(125)91-39-7-2-8-40-91)117(105)81-118-98(53-27-57-106(118)127)104-61-33-71-126-130(104)114-51-20-24-69-124(114)134(126)94-45-25-38-86(78-94)83-72-74-85(75-73-83)116-80-90(77-88-37-14-16-47-96(88)116)128-107-58-28-54-99(109-62-30-64-111-101-48-17-21-66-121(101)135(131(109)111)92-41-9-3-10-42-92)119(107)82-120-100(55-29-59-108(120)128)110-63-31-65-112-102-49-18-22-67-122(102)136(132(110)112)93-43-11-4-12-44-93/h1-82H.

What are the key properties of 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole?

5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole has a molecular weight of 1792.00 g/mol, XLogP of 40.74, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[3-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]naphthalen-1-yl]phenyl]phenyl]-1-[8-(5-phenylbenzo[b]phosphindol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzo[b]phosphindole is sourced from PubChem (CID 155333268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).