2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide

C50H36N4O2P2 — CID 58399913

IUPAC2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide
SMILESO=P1(c2ccc3ccccc3c2)N(c2ccccc2)c2ccc3c(c2N1c1ccccc1)N(c1ccccc1)P(=O)(c1ccc2ccccc2c1)N3c1ccccc1
InChIInChI=1S/C50H36N4O2P2/c55-57(45-31-29-37-17-13-15-19-39(37)35-45)51(41-21-5-1-6-22-41)47-33-34-48-50(49(47)53(57)43-25-9-3-10-26-43)54(44-27-11-4-12-28-44)58(56,52(48)42-23-7-2-8-24-42)46-32-30-38-18-14-16-20-40(38)36-46/h1-36H
InChIKeyKDVWKBTULHYAHP-UHFFFAOYSA-N
MW786.81 g/mol
LogP13.61
Rot. Bonds6

About 2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide

2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide (PubChem CID 58399913) has the molecular formula C50H36N4O2P2 and a molecular weight of 786.81 g/mol. Its IUPAC name is 2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide.

Molecular Properties

Compound Name2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide
PubChem CID58399913
Molecular FormulaC50H36N4O2P2
Molecular Weight786.81 g/mol
Exact Mass786.23
IUPAC Name2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide
SMILESO=P1(c2ccc3ccccc3c2)N(c2ccccc2)c2ccc3c(c2N1c1ccccc1)N(c1ccccc1)P(=O)(c1ccc2ccccc2c1)N3c1ccccc1
InChIInChI=1S/C50H36N4O2P2/c55-57(45-31-29-37-17-13-15-19-39(37)35-45)51(41-21-5-1-6-22-41)47-33-34-48-50(49(47)53(57)43-25-9-3-10-26-43)54(44-27-11-4-12-28-44)58(56,52(48)42-23-7-2-8-24-42)46-32-30-38-18-14-16-20-40(38)36-46/h1-36H
InChIKeyKDVWKBTULHYAHP-UHFFFAOYSA-N
XLogP13.61
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.81
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide?
The IUPAC name of 2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide (CID 58399913) is 2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide.
What is the SMILES notation for 2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide?
The canonical SMILES for 2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide is O=P1(c2ccc3ccccc3c2)N(c2ccccc2)c2ccc3c(c2N1c1ccccc1)N(c1ccccc1)P(=O)(c1ccc2ccccc2c1)N3c1ccccc1.
What is the InChIKey of 2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide?
The InChIKey is KDVWKBTULHYAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4O2P2/c55-57(45-31-29-37-17-13-15-19-39(37)35-45)51(41-21-5-1-6-22-41)47-33-34-48-50(49(47)53(57)43-25-9-3-10-26-43)54(44-27-11-4-12-28-44)58(56,52(48)42-23-7-2-8-24-42)46-32-30-38-18-14-16-20-40(38)36-46/h1-36H.
What are the key properties of 2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide?
2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide has a molecular weight of 786.81 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide is sourced from PubChem (CID 58399913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).