N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

C68H61N — CID 177067110

IUPACN-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3cccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)c32)c1
InChIInChI=1S/C68H61N/c1-64(2,3)44-22-19-24-47(40-44)67(48-25-20-23-45(41-48)65(4,5)6)57-32-16-15-30-53(57)56-31-21-35-62(63(56)67)69(49-26-11-10-12-27-49)50-37-39-55-52-29-14-18-34-59(52)68(61(55)43-50)58-33-17-13-28-51(58)54-38-36-46(42-60(54)68)66(7,8)9/h10-43H,1-9H3
InChIKeyCWSXSMUJLRIEMY-UHFFFAOYSA-N
MW892.24 g/mol
LogP17.76
Rot. Bonds5

About N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 177067110) has the molecular formula C68H61N and a molecular weight of 892.24 g/mol. Its IUPAC name is N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID177067110
Molecular FormulaC68H61N
Molecular Weight892.24 g/mol
Exact Mass891.48
IUPAC NameN-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3cccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)c32)c1
InChIInChI=1S/C68H61N/c1-64(2,3)44-22-19-24-47(40-44)67(48-25-20-23-45(41-48)65(4,5)6)57-32-16-15-30-53(57)56-31-21-35-62(63(56)67)69(49-26-11-10-12-27-49)50-37-39-55-52-29-14-18-34-59(52)68(61(55)43-50)58-33-17-13-28-51(58)54-38-36-46(42-60(54)68)66(7,8)9/h10-43H,1-9H3
InChIKeyCWSXSMUJLRIEMY-UHFFFAOYSA-N
XLogP17.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.24
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
CID 177066968
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 146542310
N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
CID 171453113
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 156573360
N-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)fluoren-4-yl]-2',7'-ditert-butyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134415484
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170144171

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (CID 177067110) is N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is CC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3cccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)c32)c1.
What is the InChIKey of N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is CWSXSMUJLRIEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H61N/c1-64(2,3)44-22-19-24-47(40-44)67(48-25-20-23-45(41-48)65(4,5)6)57-32-16-15-30-53(57)56-31-21-35-62(63(56)67)69(49-26-11-10-12-27-49)50-37-39-55-52-29-14-18-34-59(52)68(61(55)43-50)58-33-17-13-28-51(58)54-38-36-46(42-60(54)68)66(7,8)9/h10-43H,1-9H3.
What are the key properties of N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 892.24 g/mol, XLogP of 17.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 177067110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).