2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane

C98H80N7O3P3 — CID 118650393

About 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane

2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane (PubChem CID 118650393) has the molecular formula C98H80N7O3P3 and a molecular weight of 1496.69 g/mol. Its IUPAC name is 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane.

Molecular Properties

• Compound Name: 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane
• PubChem CID: 118650393
• Molecular Formula: C98H80N7O3P3
• Molecular Weight: 1496.69 g/mol
• Exact Mass: 1495.55
• IUPAC Name: 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane
• SMILES: C1=Cc2nc1cc1ccc([nH]1)c(-c1ccccc1OCCP(=Nc1ccccc1)(c1ccccc1)c1ccccc1)c1nc(c(-c3ccccc3OCCP(=Nc3ccccc3)(c3ccccc3)c3ccccc3)c3ccc([nH]3)c2-c2ccccc2OCCP(=Nc2ccccc2)(c2ccccc2)c2ccccc2)C=C1
• InChI: InChI=1S/C98H80N7O3P3/c1-10-34-73(35-11-1)103-109(78-40-16-4-17-41-78,79-42-18-5-19-43-79)69-66-106-93-55-31-28-52-84(93)96-87-60-58-76(99-87)72-77-59-61-88(100-77)97(85-53-29-32-56-94(85)107-67-70-110(80-44-20-6-21-45-80,81-46-22-7-23-47-81)104-74-36-12-2-13-37-74)90-63-65-92(102-90)98(91-64-62-89(96)101-91)86-54-30-33-57-95(86)108-68-71-111(82-48-24-8-25-49-82,83-50-26-9-27-51-83)105-75-38-14-3-15-39-75/h1-65,72,99,102H,66-71H2/b76-72-,77-72-,96-87-,96-89-,97-88-,97-90-,98-91-,98-92-
• InChIKey: HQMPPGMXPXLAQN-YXXLTSSDSA-N
• XLogP: 23.34
• TPSA: 122.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1496.69
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane?

The IUPAC name of 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane (CID 118650393) is 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane.

What is the SMILES notation for 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane?

The canonical SMILES for 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane is C1=Cc2nc1cc1ccc([nH]1)c(-c1ccccc1OCCP(=Nc1ccccc1)(c1ccccc1)c1ccccc1)c1nc(c(-c3ccccc3OCCP(=Nc3ccccc3)(c3ccccc3)c3ccccc3)c3ccc([nH]3)c2-c2ccccc2OCCP(=Nc2ccccc2)(c2ccccc2)c2ccccc2)C=C1.

What is the InChIKey of 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane?

The InChIKey is HQMPPGMXPXLAQN-YXXLTSSDSA-N. The full InChI is InChI=1S/C98H80N7O3P3/c1-10-34-73(35-11-1)103-109(78-40-16-4-17-41-78,79-42-18-5-19-43-79)69-66-106-93-55-31-28-52-84(93)96-87-60-58-76(99-87)72-77-59-61-88(100-77)97(85-53-29-32-56-94(85)107-67-70-110(80-44-20-6-21-45-80,81-46-22-7-23-47-81)104-74-36-12-2-13-37-74)90-63-65-92(102-90)98(91-64-62-89(96)101-91)86-54-30-33-57-95(86)108-68-71-111(82-48-24-8-25-49-82,83-50-26-9-27-51-83)105-75-38-14-3-15-39-75/h1-65,72,99,102H,66-71H2/b76-72-,77-72-,96-87-,96-89-,97-88-,97-90-,98-91-,98-92-.

What are the key properties of 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane?

2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane has a molecular weight of 1496.69 g/mol, XLogP of 23.34, 24 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[10,15-bis[2-[2-[diphenyl(phenylimino)-λ5-phosphanyl]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl-diphenyl-phenylimino-λ5-phosphane is sourced from PubChem (CID 118650393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).