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

C77H79N — CID 178110228

IUPACN-(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
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(C(C)(C)C)ccc2-c2c(-c3ccc(N(c4ccc5c(c4)C(C)(C)C4=CCCC=C45)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc(C(C)(C)C)cc21
InChIInChI=1S/C77H79N/c1-71(2,3)47-27-34-58-59-35-28-48(72(4,5)6)41-67(59)77(66(58)40-47)68-42-49(73(7,8)9)29-36-60(68)70-61(39-50(43-69(70)77)74(10,11)12)46-25-30-51(31-26-46)78(52-32-37-56-54-21-17-19-23-62(54)75(13,14)64(56)44-52)53-33-38-57-55-22-18-20-24-63(55)76(15,16)65(57)45-53/h17,19,21-45H,18,20H2,1-16H3
InChIKeyIJGMPDYNULSKCH-UHFFFAOYSA-N
MW1018.49 g/mol
LogP21.06
Rot. Bonds4

About 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

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 (PubChem CID 178110228) has the molecular formula C77H79N and a molecular weight of 1018.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID178110228
Molecular FormulaC77H79N
Molecular Weight1018.49 g/mol
Exact Mass1017.62
IUPAC NameN-(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
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(C(C)(C)C)ccc2-c2c(-c3ccc(N(c4ccc5c(c4)C(C)(C)C4=CCCC=C45)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc(C(C)(C)C)cc21
InChIInChI=1S/C77H79N/c1-71(2,3)47-27-34-58-59-35-28-48(72(4,5)6)41-67(59)77(66(58)40-47)68-42-49(73(7,8)9)29-36-60(68)70-61(39-50(43-69(70)77)74(10,11)12)46-25-30-51(31-26-46)78(52-32-37-56-54-21-17-19-23-62(54)75(13,14)64(56)44-52)53-33-38-57-55-22-18-20-24-63(55)76(15,16)65(57)45-53/h17,19,21-45H,18,20H2,1-16H3
InChIKeyIJGMPDYNULSKCH-UHFFFAOYSA-N
XLogP21.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.49
LogP ≤ 521.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 177124718
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 142508836
3,6-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170215490
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
N-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline
CID 176836108
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 126542786
N-[3-[3-(N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)anilino)-5-methylphenyl]-5-methylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 71021422
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylpyrimidin-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 156556722
2-tert-butyl-N-[4-[4-(1-deuteriocyclopentyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 161062605

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(C(C)(C)C)ccc2-c2c(-c3ccc(N(c4ccc5c(c4)C(C)(C)C4=CCCC=C45)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc(C(C)(C)C)cc21.
What is the InChIKey of 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?
The InChIKey is IJGMPDYNULSKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H79N/c1-71(2,3)47-27-34-58-59-35-28-48(72(4,5)6)41-67(59)77(66(58)40-47)68-42-49(73(7,8)9)29-36-60(68)70-61(39-50(43-69(70)77)74(10,11)12)46-25-30-51(31-26-46)78(52-32-37-56-54-21-17-19-23-62(54)75(13,14)64(56)44-52)53-33-38-57-55-22-18-20-24-63(55)76(15,16)65(57)45-53/h17,19,21-45H,18,20H2,1-16H3.
What are the key properties of 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?
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 has a molecular weight of 1018.49 g/mol, XLogP of 21.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178110228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).