N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine

C165H111N3O3 — CID 157498192

IUPACN-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine
SMILESC1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccccc3)ccc12.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5C=Cc5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4C=Cc4ccccc43)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C60H41NO.C54H37NO.C51H33NO/c1-59(2)53-20-10-5-15-45(53)47-32-30-43(36-56(47)59)61(44-31-33-49-48-17-7-12-22-57(48)62-58(49)37-44)42-28-25-38(26-29-42)41-27-34-55-50(35-41)46-16-6-11-21-54(46)60(55)51-18-8-3-13-39(51)23-24-40-14-4-9-19-52(40)60;1-53(2)47-20-10-5-15-39(47)41-28-25-37(32-50(41)53)55(38-26-29-43-42-17-7-12-22-51(42)56-52(43)33-38)36-27-30-49-44(31-36)40-16-6-11-21-48(40)54(49)45-18-8-3-13-34(45)23-24-35-14-4-9-19-46(35)54;1-2-14-34(15-3-1)39-18-7-12-24-48(39)52(38-28-30-42-41-20-8-13-25-49(41)53-50(42)33-38)37-29-31-47-43(32-37)40-19-6-11-23-46(40)51(47)44-21-9-4-16-35(44)26-27-36-17-5-10-22-45(36)51/h3-37H,1-2H3;3-33H,1-2H3;1-33H
InChIKeyBYBVSFDBKRXCNK-UHFFFAOYSA-N
MW2183.72 g/mol
LogP43.65
Rot. Bonds11

About N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine (PubChem CID 157498192) has the molecular formula C165H111N3O3 and a molecular weight of 2183.72 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine
PubChem CID157498192
Molecular FormulaC165H111N3O3
Molecular Weight2183.72 g/mol
Exact Mass2181.86
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine
SMILESC1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccccc3)ccc12.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5C=Cc5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4C=Cc4ccccc43)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C60H41NO.C54H37NO.C51H33NO/c1-59(2)53-20-10-5-15-45(53)47-32-30-43(36-56(47)59)61(44-31-33-49-48-17-7-12-22-57(48)62-58(49)37-44)42-28-25-38(26-29-42)41-27-34-55-50(35-41)46-16-6-11-21-54(46)60(55)51-18-8-3-13-39(51)23-24-40-14-4-9-19-52(40)60;1-53(2)47-20-10-5-15-39(47)41-28-25-37(32-50(41)53)55(38-26-29-43-42-17-7-12-22-51(42)56-52(43)33-38)36-27-30-49-44(31-36)40-16-6-11-21-48(40)54(49)45-18-8-3-13-34(45)23-24-35-14-4-9-19-46(35)54;1-2-14-34(15-3-1)39-18-7-12-24-48(39)52(38-28-30-42-41-20-8-13-25-49(41)53-50(42)33-38)37-29-31-47-43(32-37)40-19-6-11-23-46(40)51(47)44-21-9-4-16-35(44)26-27-36-17-5-10-22-45(36)51/h3-37H,1-2H3;3-33H,1-2H3;1-33H
InChIKeyBYBVSFDBKRXCNK-UHFFFAOYSA-N
XLogP43.65
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms171
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002183.72
LogP ≤ 543.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine (CID 157498192) is N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine is C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccccc3)ccc12.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5C=Cc5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4C=Cc4ccccc43)c3ccc4c(c3)oc3ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine?
The InChIKey is BYBVSFDBKRXCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO.C54H37NO.C51H33NO/c1-59(2)53-20-10-5-15-45(53)47-32-30-43(36-56(47)59)61(44-31-33-49-48-17-7-12-22-57(48)62-58(49)37-44)42-28-25-38(26-29-42)41-27-34-55-50(35-41)46-16-6-11-21-54(46)60(55)51-18-8-3-13-39(51)23-24-40-14-4-9-19-52(40)60;1-53(2)47-20-10-5-15-39(47)41-28-25-37(32-50(41)53)55(38-26-29-43-42-17-7-12-22-51(42)56-52(43)33-38)36-27-30-49-44(31-36)40-16-6-11-21-48(40)54(49)45-18-8-3-13-34(45)23-24-35-14-4-9-19-46(35)54;1-2-14-34(15-3-1)39-18-7-12-24-48(39)52(38-28-30-42-41-20-8-13-25-49(41)53-50(42)33-38)37-29-31-47-43(32-37)40-19-6-11-23-46(40)51(47)44-21-9-4-16-35(44)26-27-36-17-5-10-22-45(36)51/h3-37H,1-2H3;3-33H,1-2H3;1-33H.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine has a molecular weight of 2183.72 g/mol, XLogP of 43.65, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-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-yldibenzofuran-3-amine is sourced from PubChem (CID 157498192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).