2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine

C63H61N — CID 178165817

IUPAC2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3C3=CC=CCC31)c1cc(C(C)(C)C)cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)C3C=C4C(=CC3)c3ccccc3C4(C)C)c1-2
InChIInChI=1S/C63H61N/c1-59(2,3)38-27-30-48-55(33-38)63(51-25-17-13-21-44(51)45-22-14-18-26-52(45)63)56-34-39(60(4,5)6)35-57(58(48)56)64(40-28-31-46-42-19-11-15-23-49(42)61(7,8)53(46)36-40)41-29-32-47-43-20-12-16-24-50(43)62(9,10)54(47)37-41/h11-25,27-28,30-37,41,52H,26,29H2,1-10H3
InChIKeyKIYOYJJCWLHFDI-UHFFFAOYSA-N
MW832.19 g/mol
LogP16.09
Rot. Bonds3

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

2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine (PubChem CID 178165817) has the molecular formula C63H61N and a molecular weight of 832.19 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine
PubChem CID178165817
Molecular FormulaC63H61N
Molecular Weight832.19 g/mol
Exact Mass831.48
IUPAC Name2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3C3=CC=CCC31)c1cc(C(C)(C)C)cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)C3C=C4C(=CC3)c3ccccc3C4(C)C)c1-2
InChIInChI=1S/C63H61N/c1-59(2,3)38-27-30-48-55(33-38)63(51-25-17-13-21-44(51)45-22-14-18-26-52(45)63)56-34-39(60(4,5)6)35-57(58(48)56)64(40-28-31-46-42-19-11-15-23-49(42)61(7,8)53(46)36-40)41-29-32-47-43-20-12-16-24-50(43)62(9,10)54(47)37-41/h11-25,27-28,30-37,41,52H,26,29H2,1-10H3
InChIKeyKIYOYJJCWLHFDI-UHFFFAOYSA-N
XLogP16.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.19
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 170243434
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 155114303
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
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane
CID 142604839
7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89178599
7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine
CID 70965419
N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(2,2',7,7'-tetratert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]fluoren-2-amine
CID 178110228
17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine
CID 89065270
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156556780
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
4'-bromo-N-(9,9-dimethylfluoren-2-yl)-N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 155129994
9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine
CID 70870283

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine (CID 178165817) is 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3C3=CC=CCC31)c1cc(C(C)(C)C)cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)C3C=C4C(=CC3)c3ccccc3C4(C)C)c1-2.
What is the InChIKey of 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine?
The InChIKey is KIYOYJJCWLHFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H61N/c1-59(2,3)38-27-30-48-55(33-38)63(51-25-17-13-21-44(51)45-22-14-18-26-52(45)63)56-34-39(60(4,5)6)35-57(58(48)56)64(40-28-31-46-42-19-11-15-23-49(42)61(7,8)53(46)36-40)41-29-32-47-43-20-12-16-24-50(43)62(9,10)54(47)37-41/h11-25,27-28,30-37,41,52H,26,29H2,1-10H3.
What are the key properties of 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine?
2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine has a molecular weight of 832.19 g/mol, XLogP of 16.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 178165817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).