N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine

C63H59N — CID 170448994

IUPACN-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3cc4c(cc3-c3cccc5c3C(C)(C)CCC5(C)C)-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4ccccc34)ccc21
InChIInChI=1S/C63H59N/c1-59(2)33-34-61(5,6)55-37-41(31-32-52(55)59)64(56-30-17-20-40-19-9-10-21-42(40)56)57-39-54-47(38-48(57)46-25-18-29-53-58(46)62(7,8)36-35-60(53,3)4)45-24-13-16-28-51(45)63(54)49-26-14-11-22-43(49)44-23-12-15-27-50(44)63/h9-32,37-39H,33-36H2,1-8H3
InChIKeyCLXJEZWJIPKEOB-UHFFFAOYSA-N
MW830.17 g/mol
LogP17.02
Rot. Bonds4

About N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine

N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170448994) has the molecular formula C63H59N and a molecular weight of 830.17 g/mol. Its IUPAC name is N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170448994
Molecular FormulaC63H59N
Molecular Weight830.17 g/mol
Exact Mass829.46
IUPAC NameN-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3cc4c(cc3-c3cccc5c3C(C)(C)CCC5(C)C)-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4ccccc34)ccc21
InChIInChI=1S/C63H59N/c1-59(2)33-34-61(5,6)55-37-41(31-32-52(55)59)64(56-30-17-20-40-19-9-10-21-42(40)56)57-39-54-47(38-48(57)46-25-18-29-53-58(46)62(7,8)36-35-60(53,3)4)45-24-13-16-28-51(45)63(54)49-26-14-11-22-43(49)44-23-12-15-27-50(44)63/h9-32,37-39H,33-36H2,1-8H3
InChIKeyCLXJEZWJIPKEOB-UHFFFAOYSA-N
XLogP17.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.17
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448971
9,9-diphenyl-N-(4-phenylphenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447723
9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170448043
N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447755
N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449512
9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170448045
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445032
N-phenanthren-9-yl-N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448552
N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449158
N-(9,9-dimethylfluoren-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448968
N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine
CID 170448052
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446175

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170448994) is N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)CCC(C)(C)c2cc(N(c3cc4c(cc3-c3cccc5c3C(C)(C)CCC5(C)C)-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4ccccc34)ccc21.
What is the InChIKey of N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is CLXJEZWJIPKEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H59N/c1-59(2)33-34-61(5,6)55-37-41(31-32-52(55)59)64(56-30-17-20-40-19-9-10-21-42(40)56)57-39-54-47(38-48(57)46-25-18-29-53-58(46)62(7,8)36-35-60(53,3)4)45-24-13-16-28-51(45)63(54)49-26-14-11-22-43(49)44-23-12-15-27-50(44)63/h9-32,37-39H,33-36H2,1-8H3.
What are the key properties of N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 830.17 g/mol, XLogP of 17.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170448994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).