4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide

C142H104N16O6P6 — CID 158734796

IUPAC4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[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.O=P1(c2ccccc2)N(c2ccccc2)c2ccc3c(c2N1c1ccccc1)N(c1ccccc1)P(=O)(c1ccccc1)N3c1ccccc1.[C-]#[N+]c1ccc(N2c3ccc4c(c3N(c3ccc([N+]#[C-])cc3)P2(=O)c2cc(C)cc(C)c2)N(c2ccc([N+]#[C-])cc2)P(=O)(c2cc(C)cc(C)c2)N4c2ccc(C#N)cc2)cc1
InChIInChI=1S/C50H36N8O2P2.C50H36N4O2P2.C42H32N4O2P2/c1-33-26-34(2)29-45(28-33)61(59)55(41-16-8-37(32-51)9-17-41)47-24-25-48-50(49(47)57(61)43-20-12-39(53-6)13-21-43)58(44-22-14-40(54-7)15-23-44)62(60,46-30-35(3)27-36(4)31-46)56(48)42-18-10-38(52-5)11-19-42;55-57(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;47-49(37-27-15-5-16-28-37)43(33-19-7-1-8-20-33)39-31-32-40-42(41(39)45(49)35-23-11-3-12-24-35)46(36-25-13-4-14-26-36)50(48,38-29-17-6-18-30-38)44(40)34-21-9-2-10-22-34/h8-31H,1-4H3;1-36H;1-32H
InChIKeyILNXETRCRVXPTF-UHFFFAOYSA-N
MW2316.34 g/mol
LogP38.97
Rot. Bonds18

About 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide

4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide (PubChem CID 158734796) has the molecular formula C142H104N16O6P6 and a molecular weight of 2316.34 g/mol. Its IUPAC name is 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide.

Molecular Properties

Compound Name4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide
PubChem CID158734796
Molecular FormulaC142H104N16O6P6
Molecular Weight2316.34 g/mol
Exact Mass2314.68
IUPAC Name4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[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.O=P1(c2ccccc2)N(c2ccccc2)c2ccc3c(c2N1c1ccccc1)N(c1ccccc1)P(=O)(c1ccccc1)N3c1ccccc1.[C-]#[N+]c1ccc(N2c3ccc4c(c3N(c3ccc([N+]#[C-])cc3)P2(=O)c2cc(C)cc(C)c2)N(c2ccc([N+]#[C-])cc2)P(=O)(c2cc(C)cc(C)c2)N4c2ccc(C#N)cc2)cc1
InChIInChI=1S/C50H36N8O2P2.C50H36N4O2P2.C42H32N4O2P2/c1-33-26-34(2)29-45(28-33)61(59)55(41-16-8-37(32-51)9-17-41)47-24-25-48-50(49(47)57(61)43-20-12-39(53-6)13-21-43)58(44-22-14-40(54-7)15-23-44)62(60,46-30-35(3)27-36(4)31-46)56(48)42-18-10-38(52-5)11-19-42;55-57(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;47-49(37-27-15-5-16-28-37)43(33-19-7-1-8-20-33)39-31-32-40-42(41(39)45(49)35-23-11-3-12-24-35)46(36-25-13-4-14-26-36)50(48,38-29-17-6-18-30-38)44(40)34-21-9-2-10-22-34/h8-31H,1-4H3;1-36H;1-32H
InChIKeyILNXETRCRVXPTF-UHFFFAOYSA-N
XLogP38.97
TPSA178.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002316.34
LogP ≤ 538.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide with MolForge

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Related Compounds

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CID 58399910
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CID 58400019
4-[[6-[(E)-2-[6-(4-isocyano-N-naphthalen-2-ylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-yl]-naphthalen-2-ylamino]benzonitrile
CID 140926325
3-[17-(3-isocyanophenyl)-11-methyl-8,14-diphenyl-8,14-bis(sulfanylidene)-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]benzonitrile
CID 153424698
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CID 156626050
4-[3-(N-[6-(N-[3-(4-isocyanophenyl)-5-phenylphenyl]-3,5-dimethylanilino)pyren-1-yl]-3,5-dimethylanilino)-5-phenylphenyl]benzonitrile
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2-[2-(4-isocyanophenyl)ethynyl]naphthalene
CID 123559812
9-[4-[4-(3,6-diisocyanocarbazol-9-yl)-N-naphthalen-2-ylanilino]phenyl]carbazole-3,6-dicarbonitrile
CID 20781591
4-[6-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(4-isocyanophenyl)-6-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 163731985
4-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile
CID 155656675
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bis(4-cyanophenyl)-(4-isocyanophenyl)-phenylazanium
CID 140889023

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide?
The IUPAC name of 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide (CID 158734796) is 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide.
What is the SMILES notation for 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide?
The canonical SMILES for 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[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.O=P1(c2ccccc2)N(c2ccccc2)c2ccc3c(c2N1c1ccccc1)N(c1ccccc1)P(=O)(c1ccccc1)N3c1ccccc1.[C-]#[N+]c1ccc(N2c3ccc4c(c3N(c3ccc([N+]#[C-])cc3)P2(=O)c2cc(C)cc(C)c2)N(c2ccc([N+]#[C-])cc2)P(=O)(c2cc(C)cc(C)c2)N4c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide?
The InChIKey is ILNXETRCRVXPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N8O2P2.C50H36N4O2P2.C42H32N4O2P2/c1-33-26-34(2)29-45(28-33)61(59)55(41-16-8-37(32-51)9-17-41)47-24-25-48-50(49(47)57(61)43-20-12-39(53-6)13-21-43)58(44-22-14-40(54-7)15-23-44)62(60,46-30-35(3)27-36(4)31-46)56(48)42-18-10-38(52-5)11-19-42;55-57(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;47-49(37-27-15-5-16-28-37)43(33-19-7-1-8-20-33)39-31-32-40-42(41(39)45(49)35-23-11-3-12-24-35)46(36-25-13-4-14-26-36)50(48,38-29-17-6-18-30-38)44(40)34-21-9-2-10-22-34/h8-31H,1-4H3;1-36H;1-32H.
What are the key properties of 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide?
4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide has a molecular weight of 2316.34 g/mol, XLogP of 38.97, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-bis(3,5-dimethylphenyl)-1,3,8-tris(4-isocyanophenyl)-2,7-dioxo-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphol-6-yl]benzonitrile;2,7-dinaphthalen-2-yl-1,3,6,8-tetraphenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide;1,2,3,6,7,8-hexakis-phenyl-[1,3,2]diazaphospholo[4,5-g][1,3,2]benzodiazaphosphole 2,7-dioxide is sourced from PubChem (CID 158734796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).