N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

C57H47N — CID 170448163

IUPACN,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccccc4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cccc21
InChIInChI=1S/C57H47N/c1-55(2)34-35-56(3,4)54-42(25-17-29-51(54)55)38-30-32-39(33-31-38)46-36-47-45-24-13-16-28-50(45)57(48-26-14-11-22-43(48)44-23-12-15-27-49(44)57)52(47)37-53(46)58(40-18-7-5-8-19-40)41-20-9-6-10-21-41/h5-33,36-37H,34-35H2,1-4H3
InChIKeyPLPYUMYLHKWAOC-UHFFFAOYSA-N
MW746.01 g/mol
LogP15.18
Rot. Bonds5

About N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170448163) has the molecular formula C57H47N and a molecular weight of 746.01 g/mol. Its IUPAC name is N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170448163
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC NameN,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccccc4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cccc21
InChIInChI=1S/C57H47N/c1-55(2)34-35-56(3,4)54-42(25-17-29-51(54)55)38-30-32-39(33-31-38)46-36-47-45-24-13-16-28-50(45)57(48-26-14-11-22-43(48)44-23-12-15-27-49(44)57)52(47)37-53(46)58(40-18-7-5-8-19-40)41-20-9-6-10-21-41/h5-33,36-37H,34-35H2,1-4H3
InChIKeyPLPYUMYLHKWAOC-UHFFFAOYSA-N
XLogP15.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.01
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445740
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-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
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,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-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-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,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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (CID 170448163) is N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is CC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccccc4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cccc21.
What is the InChIKey of N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is PLPYUMYLHKWAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N/c1-55(2)34-35-56(3,4)54-42(25-17-29-51(54)55)38-30-32-39(33-31-38)46-36-47-45-24-13-16-28-50(45)57(48-26-14-11-22-43(48)44-23-12-15-27-49(44)57)52(47)37-53(46)58(40-18-7-5-8-19-40)41-20-9-6-10-21-41/h5-33,36-37H,34-35H2,1-4H3.
What are the key properties of N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 746.01 g/mol, XLogP of 15.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170448163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).