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

C55H45N — CID 170447755

IUPACN-naphthalen-2-yl-N-phenyl-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(c3ccccc3)c3ccc5ccccc5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C55H45N/c1-53(2)31-32-54(3,4)52-43(24-16-28-49(52)53)45-34-44-42-23-12-15-27-48(42)55(46-25-13-10-21-40(46)41-22-11-14-26-47(41)55)50(44)35-51(45)56(38-19-6-5-7-20-38)39-30-29-36-17-8-9-18-37(36)33-39/h5-30,33-35H,31-32H2,1-4H3
InChIKeyUGEUVDDJUGYQGC-UHFFFAOYSA-N
MW719.97 g/mol
LogP14.67
Rot. Bonds4

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

N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170447755) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170447755
Molecular FormulaC55H45N
Molecular Weight719.97 g/mol
Exact Mass719.36
IUPAC NameN-naphthalen-2-yl-N-phenyl-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(c3ccccc3)c3ccc5ccccc5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C55H45N/c1-53(2)31-32-54(3,4)52-43(24-16-28-49(52)53)45-34-44-42-23-12-15-27-48(42)55(46-25-13-10-21-40(46)41-22-11-14-26-47(41)55)50(44)35-51(45)56(38-19-6-5-7-20-38)39-30-29-36-17-8-9-18-37(36)33-39/h5-30,33-35H,31-32H2,1-4H3
InChIKeyUGEUVDDJUGYQGC-UHFFFAOYSA-N
XLogP14.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
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,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448163
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
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-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
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-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
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
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
CID 170445292
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
N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine
CID 170447190

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 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) is N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenyl-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(c3ccccc3)c3ccc5ccccc5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.
What is the InChIKey of N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is UGEUVDDJUGYQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N/c1-53(2)31-32-54(3,4)52-43(24-16-28-49(52)53)45-34-44-42-23-12-15-27-48(42)55(46-25-13-10-21-40(46)41-22-11-14-26-47(41)55)50(44)35-51(45)56(38-19-6-5-7-20-38)39-30-29-36-17-8-9-18-37(36)33-39/h5-30,33-35H,31-32H2,1-4H3.
What are the key properties of N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 719.97 g/mol, XLogP of 14.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170447755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).