N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine

C168H111N3 — CID 157131998

IUPACN-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine
SMILESc1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)c3cccc4c3Cc3ccccc3-4)ccc1-2.c1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)c3ccc4c(c3)-c3ccccc3C4)ccc1-2.c1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)c3ccc4c(c3)Cc3ccccc3-4)ccc1-2
InChIInChI=1S/3C56H37N/c1-6-19-44-35(13-1)27-30-52-55(44)47-21-8-10-24-50(47)56(52)49-23-9-7-20-46(49)54-38(16-11-25-51(54)56)34-57(40-28-29-43-39(32-40)31-36-14-2-4-17-41(36)43)53-26-12-22-45-42-18-5-3-15-37(42)33-48(45)53;1-2-13-36-32-54-50(31-35(36)12-1)47-19-7-9-21-51(47)56(54)52-22-10-8-20-48(52)55-40(16-11-23-53(55)56)34-57(42-26-27-46-41(30-42)29-38-15-3-5-17-44(38)46)43-25-24-39-28-37-14-4-6-18-45(37)49(39)33-43;1-2-13-36-33-54-50(32-35(36)12-1)48-19-7-9-21-51(48)56(54)52-22-10-8-20-49(52)55-39(16-11-23-53(55)56)34-57(42-24-26-46-40(30-42)28-37-14-3-5-17-44(37)46)43-25-27-47-41(31-43)29-38-15-4-6-18-45(38)47/h1-30,32H,31,33-34H2;2*1-27,30-33H,28-29,34H2
InChIKeyAJEJCUULHGSLPS-UHFFFAOYSA-N
MW2171.76 g/mol
LogP40.99
Rot. Bonds12

About N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine

N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine (PubChem CID 157131998) has the molecular formula C168H111N3 and a molecular weight of 2171.76 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine
PubChem CID157131998
Molecular FormulaC168H111N3
Molecular Weight2171.76 g/mol
Exact Mass2169.88
IUPAC NameN-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine
SMILESc1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)c3cccc4c3Cc3ccccc3-4)ccc1-2.c1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)c3ccc4c(c3)-c3ccccc3C4)ccc1-2.c1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)c3ccc4c(c3)Cc3ccccc3-4)ccc1-2
InChIInChI=1S/3C56H37N/c1-6-19-44-35(13-1)27-30-52-55(44)47-21-8-10-24-50(47)56(52)49-23-9-7-20-46(49)54-38(16-11-25-51(54)56)34-57(40-28-29-43-39(32-40)31-36-14-2-4-17-41(36)43)53-26-12-22-45-42-18-5-3-15-37(42)33-48(45)53;1-2-13-36-32-54-50(31-35(36)12-1)47-19-7-9-21-51(47)56(54)52-22-10-8-20-48(52)55-40(16-11-23-53(55)56)34-57(42-26-27-46-41(30-42)29-38-15-3-5-17-44(38)46)43-25-24-39-28-37-14-4-6-18-45(37)49(39)33-43;1-2-13-36-33-54-50(32-35(36)12-1)48-19-7-9-21-51(48)56(54)52-22-10-8-20-49(52)55-39(16-11-23-53(55)56)34-57(42-24-26-46-40(30-42)28-37-14-3-5-17-44(37)46)43-25-27-47-41(31-43)29-38-15-4-6-18-45(38)47/h1-30,32H,31,33-34H2;2*1-27,30-33H,28-29,34H2
InChIKeyAJEJCUULHGSLPS-UHFFFAOYSA-N
XLogP40.99
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms171
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002171.76
LogP ≤ 540.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine?
The IUPAC name of N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine (CID 157131998) is N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine.
What is the SMILES notation for N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine?
The canonical SMILES for N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine is c1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)c3cccc4c3Cc3ccccc3-4)ccc1-2.c1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)c3ccc4c(c3)-c3ccccc3C4)ccc1-2.c1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)c3ccc4c(c3)Cc3ccccc3-4)ccc1-2.
What is the InChIKey of N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine?
The InChIKey is AJEJCUULHGSLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H37N/c1-6-19-44-35(13-1)27-30-52-55(44)47-21-8-10-24-50(47)56(52)49-23-9-7-20-46(49)54-38(16-11-25-51(54)56)34-57(40-28-29-43-39(32-40)31-36-14-2-4-17-41(36)43)53-26-12-22-45-42-18-5-3-15-37(42)33-48(45)53;1-2-13-36-32-54-50(31-35(36)12-1)47-19-7-9-21-51(47)56(54)52-22-10-8-20-48(52)55-40(16-11-23-53(55)56)34-57(42-26-27-46-41(30-42)29-38-15-3-5-17-44(38)46)43-25-24-39-28-37-14-4-6-18-45(37)49(39)33-43;1-2-13-36-33-54-50(32-35(36)12-1)48-19-7-9-21-51(48)56(54)52-22-10-8-20-49(52)55-39(16-11-23-53(55)56)34-57(42-24-26-46-40(30-42)28-37-14-3-5-17-44(37)46)43-25-27-47-41(31-43)29-38-15-4-6-18-45(38)47/h1-30,32H,31,33-34H2;2*1-27,30-33H,28-29,34H2.
What are the key properties of N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine?
N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine has a molecular weight of 2171.76 g/mol, XLogP of 40.99, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine is sourced from PubChem (CID 157131998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).