16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]

C114H71N4O3P — CID 165083756

IUPAC16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3nc(-c4ccccc4)c4cc5c(cc4c3c2)C2(c3ccccc3Oc3ccccc32)c2ccccc2-5)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc7c(cc6c5c4)C4(c5ccccc5Oc5ccccc54)c4ccccc4-7)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C58H35N3O.C56H36NO2P/c1-3-15-37(16-4-1)56-46-34-44-41-19-7-9-21-47(41)58(48-22-10-13-25-53(48)62-54-26-14-11-23-49(54)58)50(44)35-43(46)45-33-40(31-32-52(45)59-56)36-27-29-38(30-28-36)55-42-20-8-12-24-51(42)60-57(61-55)39-17-5-2-6-18-39;58-60(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-31-28-37(29-32-42)39-30-33-52-46(34-39)44-36-51-45(35-47(44)55(57-52)38-16-4-1-5-17-38)43-22-10-11-23-48(43)56(51)49-24-12-14-26-53(49)59-54-27-15-13-25-50(54)56/h1-35H;1-36H
InChIKeyVNYROGBTFZZZIR-UHFFFAOYSA-N
MW1575.82 g/mol
LogP27.30
Rot. Bonds9

About 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]

16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] (PubChem CID 165083756) has the molecular formula C114H71N4O3P and a molecular weight of 1575.82 g/mol. Its IUPAC name is 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene].

Molecular Properties

Compound Name16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
PubChem CID165083756
Molecular FormulaC114H71N4O3P
Molecular Weight1575.82 g/mol
Exact Mass1574.53
IUPAC Name16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3nc(-c4ccccc4)c4cc5c(cc4c3c2)C2(c3ccccc3Oc3ccccc32)c2ccccc2-5)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc7c(cc6c5c4)C4(c5ccccc5Oc5ccccc54)c4ccccc4-7)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C58H35N3O.C56H36NO2P/c1-3-15-37(16-4-1)56-46-34-44-41-19-7-9-21-47(41)58(48-22-10-13-25-53(48)62-54-26-14-11-23-49(54)58)50(44)35-43(46)45-33-40(31-32-52(45)59-56)36-27-29-38(30-28-36)55-42-20-8-12-24-51(42)60-57(61-55)39-17-5-2-6-18-39;58-60(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-31-28-37(29-32-42)39-30-33-52-46(34-39)44-36-51-45(35-47(44)55(57-52)38-16-4-1-5-17-38)43-22-10-11-23-48(43)56(51)49-24-12-14-26-53(49)59-54-27-15-13-25-50(54)56/h1-35H;1-36H
InChIKeyVNYROGBTFZZZIR-UHFFFAOYSA-N
XLogP27.30
TPSA87.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001575.82
LogP ≤ 527.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] with MolForge

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Related Compounds

21-[4-(4-diphenylphosphorylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 164737333
4-phenyl-2-[3-[6'-[3-[phenyl-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phosphoryl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]quinazoline
CID 146343003
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
21-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 152788019
CID 146184411
CID 146184411
21-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 147719611
21-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615620
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene];6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 163631721
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 162694494
21-(4-diphenylphosphorylphenyl)-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129123984
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 146613600

Frequently Asked Questions

What is the IUPAC name of 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]?
The IUPAC name of 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] (CID 165083756) is 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene].
What is the SMILES notation for 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]?
The canonical SMILES for 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3nc(-c4ccccc4)c4cc5c(cc4c3c2)C2(c3ccccc3Oc3ccccc32)c2ccccc2-5)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc7c(cc6c5c4)C4(c5ccccc5Oc5ccccc54)c4ccccc4-7)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]?
The InChIKey is VNYROGBTFZZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O.C56H36NO2P/c1-3-15-37(16-4-1)56-46-34-44-41-19-7-9-21-47(41)58(48-22-10-13-25-53(48)62-54-26-14-11-23-49(54)58)50(44)35-43(46)45-33-40(31-32-52(45)59-56)36-27-29-38(30-28-36)55-42-20-8-12-24-51(42)60-57(61-55)39-17-5-2-6-18-39;58-60(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-31-28-37(29-32-42)39-30-33-52-46(34-39)44-36-51-45(35-47(44)55(57-52)38-16-4-1-5-17-38)43-22-10-11-23-48(43)56(51)49-24-12-14-26-53(49)59-54-27-15-13-25-50(54)56/h1-35H;1-36H.
What are the key properties of 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]?
16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] has a molecular weight of 1575.82 g/mol, XLogP of 27.30, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-diphenylphosphorylphenyl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene];21-phenyl-16-[4-(2-phenylquinazolin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene] is sourced from PubChem (CID 165083756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).