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

C61H53N — CID 170448208

IUPACN-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
SMILESCC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc6c(c4)CCCC6)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cccc21
InChIInChI=1S/C61H53N/c1-59(2)35-36-60(3,4)58-46(24-16-28-55(58)59)41-29-31-42(32-30-41)50-38-51-49-23-12-15-27-54(49)61(52-25-13-10-21-47(52)48-22-11-14-26-53(48)61)56(51)39-57(50)62(44-19-6-5-7-20-44)45-34-33-40-17-8-9-18-43(40)37-45/h5-7,10-16,19-34,37-39H,8-9,17-18,35-36H2,1-4H3
InChIKeyHXXVWLQJVANSTE-UHFFFAOYSA-N
MW800.10 g/mol
LogP16.06
Rot. Bonds5

About 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

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 (PubChem CID 170448208) has the molecular formula C61H53N and a molecular weight of 800.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID170448208
Molecular FormulaC61H53N
Molecular Weight800.10 g/mol
Exact Mass799.42
IUPAC NameN-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
SMILESCC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc6c(c4)CCCC6)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cccc21
InChIInChI=1S/C61H53N/c1-59(2)35-36-60(3,4)58-46(24-16-28-55(58)59)41-29-31-42(32-30-41)50-38-51-49-23-12-15-27-54(49)61(52-25-13-10-21-47(52)48-22-11-14-26-53(48)61)56(51)39-57(50)62(44-19-6-5-7-20-44)45-34-33-40-17-8-9-18-43(40)37-45/h5-7,10-16,19-34,37-39H,8-9,17-18,35-36H2,1-4H3
InChIKeyHXXVWLQJVANSTE-UHFFFAOYSA-N
XLogP16.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.10
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445740
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)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447564
9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445163
N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170447411
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445836
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
N,N,9,9-tetraphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447280
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc6c(c4)CCCC6)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cccc21.
What is the InChIKey of 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?
The InChIKey is HXXVWLQJVANSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H53N/c1-59(2)35-36-60(3,4)58-46(24-16-28-55(58)59)41-29-31-42(32-30-41)50-38-51-49-23-12-15-27-54(49)61(52-25-13-10-21-47(52)48-22-11-14-26-53(48)61)56(51)39-57(50)62(44-19-6-5-7-20-44)45-34-33-40-17-8-9-18-43(40)37-45/h5-7,10-16,19-34,37-39H,8-9,17-18,35-36H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 800.10 g/mol, XLogP of 16.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170448208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).