N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

C70H59N — CID 170448957

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-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)C3C=CC(c5ccc6ccccc6c5)=CC3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C70H59N/c1-67(2)38-39-68(3,4)66-55(24-17-29-62(66)67)57-42-56-53-23-12-16-28-61(53)70(59-26-14-10-21-51(59)52-22-11-15-27-60(52)70)64(56)43-65(57)71(49-36-37-54-50-20-9-13-25-58(50)69(5,6)63(54)41-49)48-34-32-45(33-35-48)47-31-30-44-18-7-8-19-46(44)40-47/h7-34,36-37,40-43,48H,35,38-39H2,1-6H3
InChIKeyMIYDQEWLKPUQEF-UHFFFAOYSA-N
MW914.25 g/mol
LogP18.06
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-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-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170448957) has the molecular formula C70H59N and a molecular weight of 914.25 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-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-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170448957
Molecular FormulaC70H59N
Molecular Weight914.25 g/mol
Exact Mass913.46
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-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)C3C=CC(c5ccc6ccccc6c5)=CC3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C70H59N/c1-67(2)38-39-68(3,4)66-55(24-17-29-62(66)67)57-42-56-53-23-12-16-28-61(53)70(59-26-14-10-21-51(59)52-22-11-15-27-60(52)70)64(56)43-65(57)71(49-36-37-54-50-20-9-13-25-58(50)69(5,6)63(54)41-49)48-34-32-45(33-35-48)47-31-30-44-18-7-8-19-46(44)40-47/h7-34,36-37,40-43,48H,35,38-39H2,1-6H3
InChIKeyMIYDQEWLKPUQEF-UHFFFAOYSA-N
XLogP18.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.25
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-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

N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170448050
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
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
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445654
N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane
CID 142481048
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
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-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138582742
N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 126595186
9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445740
N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448163

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-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-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170448957) is N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-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-(4-naphthalen-2-ylcyclohexa-2,4-dien-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-(4-naphthalen-2-ylcyclohexa-2,4-dien-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)C3C=CC(c5ccc6ccccc6c5)=CC3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is MIYDQEWLKPUQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H59N/c1-67(2)38-39-68(3,4)66-55(24-17-29-62(66)67)57-42-56-53-23-12-16-28-61(53)70(59-26-14-10-21-51(59)52-22-11-15-27-60(52)70)64(56)43-65(57)71(49-36-37-54-50-20-9-13-25-58(50)69(5,6)63(54)41-49)48-34-32-45(33-35-48)47-31-30-44-18-7-8-19-46(44)40-47/h7-34,36-37,40-43,48H,35,38-39H2,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-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-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 914.25 g/mol, XLogP of 18.06, 5 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-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170448957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).