2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C80H67N — CID 170216999

IUPAC2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C80H67N/c1-76(2,3)53-40-45-59-60-46-41-54(77(4,5)6)49-71(60)80(70(59)48-53)67-33-19-15-28-64(67)74-68(80)34-22-36-73(74)81(72-35-20-16-27-61(72)63-30-21-29-62-57-26-13-17-31-65(57)78(7,8)75(62)63)55-42-37-50(38-43-55)51-39-44-58-56-25-14-18-32-66(56)79(9,69(58)47-51)52-23-11-10-12-24-52/h10-49H,1-9H3
InChIKeyKJZFGNKTOSEHCO-UHFFFAOYSA-N
MW1042.42 g/mol
LogP21.07
Rot. Bonds6

About 2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine

2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 170216999) has the molecular formula C80H67N and a molecular weight of 1042.42 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID170216999
Molecular FormulaC80H67N
Molecular Weight1042.42 g/mol
Exact Mass1041.53
IUPAC Name2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C80H67N/c1-76(2,3)53-40-45-59-60-46-41-54(77(4,5)6)49-71(60)80(70(59)48-53)67-33-19-15-28-64(67)74-68(80)34-22-36-73(74)81(72-35-20-16-27-61(72)63-30-21-29-62-57-26-13-17-31-65(57)78(7,8)75(62)63)55-42-37-50(38-43-55)51-39-44-58-56-25-14-18-32-66(56)79(9,69(58)47-51)52-23-11-10-12-24-52/h10-49H,1-9H3
InChIKeyKJZFGNKTOSEHCO-UHFFFAOYSA-N
XLogP21.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.42
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453735
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine
CID 170215671
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
2',7'-ditert-butyl-N-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170117072
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170141356
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170217548
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of 2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 170216999) is 2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)cccc21.
What is the InChIKey of 2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is KJZFGNKTOSEHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H67N/c1-76(2,3)53-40-45-59-60-46-41-54(77(4,5)6)49-71(60)80(70(59)48-53)67-33-19-15-28-64(67)74-68(80)34-22-36-73(74)81(72-35-20-16-27-61(72)63-30-21-29-62-57-26-13-17-31-65(57)78(7,8)75(62)63)55-42-37-50(38-43-55)51-39-44-58-56-25-14-18-32-66(56)79(9,69(58)47-51)52-23-11-10-12-24-52/h10-49H,1-9H3.
What are the key properties of 2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 1042.42 g/mol, XLogP of 21.07, 6 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-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 170216999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).