N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C59H37N — CID 139499028

IUPACN-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H37N/c1-2-14-39(15-3-1)44-18-7-11-27-57(44)60(42-31-28-38(29-32-42)41-30-34-45-50-22-12-16-40-17-13-23-51(58(40)50)52(45)36-41)43-33-35-49-48-21-6-10-26-55(48)59(56(49)37-43)53-24-8-4-19-46(53)47-20-5-9-25-54(47)59/h1-37H
InChIKeyPGEMDVWZMBFAIS-UHFFFAOYSA-N
MW759.95 g/mol
LogP15.63
Rot. Bonds5

About N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 139499028) has the molecular formula C59H37N and a molecular weight of 759.95 g/mol. Its IUPAC name is N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID139499028
Molecular FormulaC59H37N
Molecular Weight759.95 g/mol
Exact Mass759.29
IUPAC NameN-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H37N/c1-2-14-39(15-3-1)44-18-7-11-27-57(44)60(42-31-28-38(29-32-42)41-30-34-45-50-22-12-16-40-17-13-23-51(58(40)50)52(45)36-41)43-33-35-49-48-21-6-10-26-55(48)59(56(49)37-43)53-24-8-4-19-46(53)47-20-5-9-25-54(47)59/h1-37H
InChIKeyPGEMDVWZMBFAIS-UHFFFAOYSA-N
XLogP15.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.95
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylfluoren-2-amine
CID 121391735
N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 139498985
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
N-phenyl-N-[3-phenyl-2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167293277
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
N,2-diphenyl-N-[4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]aniline
CID 140915383
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789323

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 139499028) is N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is PGEMDVWZMBFAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N/c1-2-14-39(15-3-1)44-18-7-11-27-57(44)60(42-31-28-38(29-32-42)41-30-34-45-50-22-12-16-40-17-13-23-51(58(40)50)52(45)36-41)43-33-35-49-48-21-6-10-26-55(48)59(56(49)37-43)53-24-8-4-19-46(53)47-20-5-9-25-54(47)59/h1-37H.
What are the key properties of N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 759.95 g/mol, XLogP of 15.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 139499028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).