N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine

C72H81N — CID 178110462

IUPACN-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine
SMILESCC(C)(C)C1=CC(N(C2=CC=CC3C(C)(C)c4ccccc4C23C)C2C=C3C(=CC2)c2ccccc2C3(C)C)=C2c3ccc(C(C)(C)C)cc3C3(c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)C2C1
InChIInChI=1S/C72H81N/c1-65(2,3)43-29-33-50-51-34-30-44(66(4,5)6)38-58(51)72(57(50)37-43)59-39-45(67(7,8)9)31-35-52(59)64-60(72)40-46(68(10,11)12)41-61(64)73(47-32-36-49-48-23-18-19-24-53(48)69(13,14)56(49)42-47)63-28-22-27-62-70(15,16)54-25-20-21-26-55(54)71(62,63)17/h18-31,33-39,41-42,47,60,62H,32,40H2,1-17H3
InChIKeyIHVNEZDYAUFFOD-UHFFFAOYSA-N
MW960.45 g/mol
LogP18.31
Rot. Bonds3

About N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine

N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine (PubChem CID 178110462) has the molecular formula C72H81N and a molecular weight of 960.45 g/mol. Its IUPAC name is N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine.

Molecular Properties

Compound NameN-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine
PubChem CID178110462
Molecular FormulaC72H81N
Molecular Weight960.45 g/mol
Exact Mass959.64
IUPAC NameN-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine
SMILESCC(C)(C)C1=CC(N(C2=CC=CC3C(C)(C)c4ccccc4C23C)C2C=C3C(=CC2)c2ccccc2C3(C)C)=C2c3ccc(C(C)(C)C)cc3C3(c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)C2C1
InChIInChI=1S/C72H81N/c1-65(2,3)43-29-33-50-51-34-30-44(66(4,5)6)38-58(51)72(57(50)37-43)59-39-45(67(7,8)9)31-35-52(59)64-60(72)40-46(68(10,11)12)41-61(64)73(47-32-36-49-48-23-18-19-24-53(48)69(13,14)56(49)42-47)63-28-22-27-62-70(15,16)54-25-20-21-26-55(54)71(62,63)17/h18-31,33-39,41-42,47,60,62H,32,40H2,1-17H3
InChIKeyIHVNEZDYAUFFOD-UHFFFAOYSA-N
XLogP18.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.45
LogP ≤ 518.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
The IUPAC name of N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine (CID 178110462) is N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine.
What is the SMILES notation for N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
The canonical SMILES for N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine is CC(C)(C)C1=CC(N(C2=CC=CC3C(C)(C)c4ccccc4C23C)C2C=C3C(=CC2)c2ccccc2C3(C)C)=C2c3ccc(C(C)(C)C)cc3C3(c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)C2C1.
What is the InChIKey of N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
The InChIKey is IHVNEZDYAUFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H81N/c1-65(2,3)43-29-33-50-51-34-30-44(66(4,5)6)38-58(51)72(57(50)37-43)59-39-45(67(7,8)9)31-35-52(59)64-60(72)40-46(68(10,11)12)41-61(64)73(47-32-36-49-48-23-18-19-24-53(48)69(13,14)56(49)42-47)63-28-22-27-62-70(15,16)54-25-20-21-26-55(54)71(62,63)17/h18-31,33-39,41-42,47,60,62H,32,40H2,1-17H3.
What are the key properties of N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine?
N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine has a molecular weight of 960.45 g/mol, XLogP of 18.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a,9,9-trimethyl-9aH-fluoren-4-yl)-2,2',7,7'-tetratert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4-amine is sourced from PubChem (CID 178110462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).