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

C51H43N — CID 170449602

IUPACN-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3Nc3ccc(-c5ccccc5)cc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21
InChIInChI=1S/C51H43N/c1-49(2)28-29-50(3,4)47-30-35(24-27-45(47)49)40-31-41-39-18-10-13-21-44(39)51(42-19-11-8-16-37(42)38-17-9-12-20-43(38)51)46(41)32-48(40)52-36-25-22-34(23-26-36)33-14-6-5-7-15-33/h5-27,30-32,52H,28-29H2,1-4H3
InChIKeyKMVOTAXRNOILNW-UHFFFAOYSA-N
MW669.91 g/mol
LogP13.46
Rot. Bonds4

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

N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170449602) has the molecular formula C51H43N and a molecular weight of 669.91 g/mol. Its IUPAC name is N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170449602
Molecular FormulaC51H43N
Molecular Weight669.91 g/mol
Exact Mass669.34
IUPAC NameN-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3Nc3ccc(-c5ccccc5)cc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21
InChIInChI=1S/C51H43N/c1-49(2)28-29-50(3,4)47-30-35(24-27-45(47)49)40-31-41-39-18-10-13-21-44(39)51(42-19-11-8-16-37(42)38-17-9-12-20-43(38)51)46(41)32-48(40)52-36-25-22-34(23-26-36)33-14-6-5-7-15-33/h5-27,30-32,52H,28-29H2,1-4H3
InChIKeyKMVOTAXRNOILNW-UHFFFAOYSA-N
XLogP13.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.91
LogP ≤ 513.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449621
5,5,8,8-tetramethyl-N,3-diphenyl-6,7-dihydronaphthalen-2-amine
CID 163300047
5,5,8,8-tetramethyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 174330207
N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449512
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170447496
N-phenanthren-9-yl-N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448552
3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine
CID 167133338
N-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 174330293
9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)fluoren-3-amine
CID 164550717
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
CID 174016389
CID 174016389

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170449602) is N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3Nc3ccc(-c5ccccc5)cc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21.
What is the InChIKey of N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is KMVOTAXRNOILNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N/c1-49(2)28-29-50(3,4)47-30-35(24-27-45(47)49)40-31-41-39-18-10-13-21-44(39)51(42-19-11-8-16-37(42)38-17-9-12-20-43(38)51)46(41)32-48(40)52-36-25-22-34(23-26-36)33-14-6-5-7-15-33/h5-27,30-32,52H,28-29H2,1-4H3.
What are the key properties of N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 669.91 g/mol, XLogP of 13.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170449602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).