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

C69H63N — CID 170448971

IUPACN-(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
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4c(cc3-c3cccc5c3C(C)(C)CCC5(C)C)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C69H63N/c1-65(2)36-37-67(5,6)62-41-49(34-35-59(62)65)70(48-32-30-45(31-33-48)47-29-28-44-18-9-10-19-46(44)40-47)63-43-61-54(42-55(63)53-23-17-27-60-64(53)68(7,8)39-38-66(60,3)4)52-22-13-16-26-58(52)69(61)56-24-14-11-20-50(56)51-21-12-15-25-57(51)69/h9-35,40-43H,36-39H2,1-8H3
InChIKeyAUHFBLLRSCDXJI-UHFFFAOYSA-N
MW906.27 g/mol
LogP18.69
Rot. Bonds5

About 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

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 (PubChem CID 170448971) has the molecular formula C69H63N and a molecular weight of 906.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID170448971
Molecular FormulaC69H63N
Molecular Weight906.27 g/mol
Exact Mass905.50
IUPAC NameN-(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
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4c(cc3-c3cccc5c3C(C)(C)CCC5(C)C)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C69H63N/c1-65(2)36-37-67(5,6)62-41-49(34-35-59(62)65)70(48-32-30-45(31-33-48)47-29-28-44-18-9-10-19-46(44)40-47)63-43-61-54(42-55(63)53-23-17-27-60-64(53)68(7,8)39-38-66(60,3)4)52-22-13-16-26-58(52)69(61)56-24-14-11-20-50(56)51-21-12-15-25-57(51)69/h9-35,40-43H,36-39H2,1-8H3
InChIKeyAUHFBLLRSCDXJI-UHFFFAOYSA-N
XLogP18.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.27
LogP ≤ 518.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 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-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-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-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
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,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449512
N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448163
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448170
9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170445739
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
N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447239

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4c(cc3-c3cccc5c3C(C)(C)CCC5(C)C)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21.
What is the InChIKey of 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?
The InChIKey is AUHFBLLRSCDXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H63N/c1-65(2)36-37-67(5,6)62-41-49(34-35-59(62)65)70(48-32-30-45(31-33-48)47-29-28-44-18-9-10-19-46(44)40-47)63-43-61-54(42-55(63)53-23-17-27-60-64(53)68(7,8)39-38-66(60,3)4)52-22-13-16-26-58(52)69(61)56-24-14-11-20-50(56)51-21-12-15-25-57(51)69/h9-35,40-43H,36-39H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 906.27 g/mol, XLogP of 18.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170448971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).