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

C64H57N — CID 170448968

IUPACN-(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
SMILESCC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3cccc5c3CCCC5)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C64H57N/c1-61(2)35-36-62(3,4)60-48(26-18-31-55(60)61)50-38-49-46-25-12-16-30-54(46)64(52-28-14-10-23-44(52)45-24-11-15-29-53(45)64)57(49)39-59(50)65(58-32-17-20-40-19-7-8-21-42(40)58)41-33-34-47-43-22-9-13-27-51(43)63(5,6)56(47)37-41/h9-18,20,22-34,37-39H,7-8,19,21,35-36H2,1-6H3
InChIKeyWQOJSIIEDSPVRL-UHFFFAOYSA-N
MW840.17 g/mol
LogP16.70
Rot. Bonds4

About 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

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 (PubChem CID 170448968) has the molecular formula C64H57N and a molecular weight of 840.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID170448968
Molecular FormulaC64H57N
Molecular Weight840.17 g/mol
Exact Mass839.45
IUPAC NameN-(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
SMILESCC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3cccc5c3CCCC5)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C64H57N/c1-61(2)35-36-62(3,4)60-48(26-18-31-55(60)61)50-38-49-46-25-12-16-30-54(46)64(52-28-14-10-23-44(52)45-24-11-15-29-53(45)64)57(49)39-59(50)65(58-32-17-20-40-19-7-8-21-42(40)58)41-33-34-47-43-22-9-13-27-51(43)63(5,6)56(47)37-41/h9-18,20,22-34,37-39H,7-8,19,21,35-36H2,1-6H3
InChIKeyWQOJSIIEDSPVRL-UHFFFAOYSA-N
XLogP16.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.17
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

9,9-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N,N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446367
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448848
9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445422
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
N,9,9-triphenyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170447384
N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 170449270
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445158
9,9-dimethyl-N-phenyl-N-(2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170446596
9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170446540
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-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448208
9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446938

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3cccc5c3CCCC5)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.
What is the InChIKey of 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?
The InChIKey is WQOJSIIEDSPVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H57N/c1-61(2)35-36-62(3,4)60-48(26-18-31-55(60)61)50-38-49-46-25-12-16-30-54(46)64(52-28-14-10-23-44(52)45-24-11-15-29-53(45)64)57(49)39-59(50)65(58-32-17-20-40-19-7-8-21-42(40)58)41-33-34-47-43-22-9-13-27-51(43)63(5,6)56(47)37-41/h9-18,20,22-34,37-39H,7-8,19,21,35-36H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 840.17 g/mol, XLogP of 16.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170448968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).