N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine

C165H107N3O3 — CID 159938293

IUPACN-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
SMILESC1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3Oc3ccccc3-4)ccc12.C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccc4c(c3)-c3ccccc3Oc3ccccc3-4)c3ccccc3-c3ccccc3)ccc12.C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3Oc3ccccc3-4)ccc12
InChIInChI=1S/2C57H37NO.C51H33NO/c1-2-16-38(17-3-1)43-20-7-13-27-54(43)58(41-32-34-44-46-22-8-14-28-55(46)59-56-29-15-9-23-47(56)48(44)36-41)42-33-35-53-49(37-42)45-21-6-12-26-52(45)57(53)50-24-10-4-18-39(50)30-31-40-19-5-11-25-51(40)57;1-2-14-38(15-3-1)39-28-30-42(31-29-39)58(43-32-34-45-47-19-7-12-24-55(47)59-56-25-13-8-20-48(56)49(45)36-43)44-33-35-54-50(37-44)46-18-6-11-23-53(46)57(54)51-21-9-4-16-40(51)26-27-41-17-5-10-22-52(41)57;1-2-16-36(17-3-1)52(37-28-30-39-41-19-7-12-24-49(41)53-50-25-13-8-20-42(50)43(39)32-37)38-29-31-48-44(33-38)40-18-6-11-23-47(40)51(48)45-21-9-4-14-34(45)26-27-35-15-5-10-22-46(35)51/h2*1-37H;1-33H
InChIKeyOANVAWSFFYESQE-UHFFFAOYSA-N
MW2179.69 g/mol
LogP43.66
Rot. Bonds11

About N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine

N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine (PubChem CID 159938293) has the molecular formula C165H107N3O3 and a molecular weight of 2179.69 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
PubChem CID159938293
Molecular FormulaC165H107N3O3
Molecular Weight2179.69 g/mol
Exact Mass2177.83
IUPAC NameN-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
SMILESC1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3Oc3ccccc3-4)ccc12.C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccc4c(c3)-c3ccccc3Oc3ccccc3-4)c3ccccc3-c3ccccc3)ccc12.C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3Oc3ccccc3-4)ccc12
InChIInChI=1S/2C57H37NO.C51H33NO/c1-2-16-38(17-3-1)43-20-7-13-27-54(43)58(41-32-34-44-46-22-8-14-28-55(46)59-56-29-15-9-23-47(56)48(44)36-41)42-33-35-53-49(37-42)45-21-6-12-26-52(45)57(53)50-24-10-4-18-39(50)30-31-40-19-5-11-25-51(40)57;1-2-14-38(15-3-1)39-28-30-42(31-29-39)58(43-32-34-45-47-19-7-12-24-55(47)59-56-25-13-8-20-48(56)49(45)36-43)44-33-35-54-50(37-44)46-18-6-11-23-53(46)57(54)51-21-9-4-16-40(51)26-27-41-17-5-10-22-52(41)57;1-2-16-36(17-3-1)52(37-28-30-39-41-19-7-12-24-49(41)53-50-25-13-8-20-42(50)43(39)32-37)38-29-31-48-44(33-38)40-18-6-11-23-47(40)51(48)45-21-9-4-14-34(45)26-27-35-15-5-10-22-46(35)51/h2*1-37H;1-33H
InChIKeyOANVAWSFFYESQE-UHFFFAOYSA-N
XLogP43.66
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms171
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002179.69
LogP ≤ 543.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine?
The IUPAC name of N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine (CID 159938293) is N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine is C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3Oc3ccccc3-4)ccc12.C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccc4c(c3)-c3ccccc3Oc3ccccc3-4)c3ccccc3-c3ccccc3)ccc12.C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3Oc3ccccc3-4)ccc12.
What is the InChIKey of N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine?
The InChIKey is OANVAWSFFYESQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H37NO.C51H33NO/c1-2-16-38(17-3-1)43-20-7-13-27-54(43)58(41-32-34-44-46-22-8-14-28-55(46)59-56-29-15-9-23-47(56)48(44)36-41)42-33-35-53-49(37-42)45-21-6-12-26-52(45)57(53)50-24-10-4-18-39(50)30-31-40-19-5-11-25-51(40)57;1-2-14-38(15-3-1)39-28-30-42(31-29-39)58(43-32-34-45-47-19-7-12-24-55(47)59-56-25-13-8-20-48(56)49(45)36-43)44-33-35-54-50(37-44)46-18-6-11-23-53(46)57(54)51-21-9-4-16-40(51)26-27-41-17-5-10-22-52(41)57;1-2-16-36(17-3-1)52(37-28-30-39-41-19-7-12-24-49(41)53-50-25-13-8-20-42(50)43(39)32-37)38-29-31-48-44(33-38)40-18-6-11-23-47(40)51(48)45-21-9-4-14-34(45)26-27-35-15-5-10-22-46(35)51/h2*1-37H;1-33H.
What are the key properties of N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine?
N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine has a molecular weight of 2179.69 g/mol, XLogP of 43.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-phenyl-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine is sourced from PubChem (CID 159938293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).