N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline

C59H37N — CID 90164601

IUPACN,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc6ccc(c3)c4c56)cc2)cc1
InChIInChI=1S/C59H37N/c1-3-13-46(14-4-1)60(47-15-5-2-6-16-47)48-30-27-38(28-31-48)44-33-40-23-25-42-35-45(36-43-26-24-41(34-44)57(40)58(42)43)39-29-32-52-51-19-9-12-22-55(51)59(56(52)37-39)53-20-10-7-17-49(53)50-18-8-11-21-54(50)59/h1-37H
InChIKeyXXRRVPWKMCHLNQ-UHFFFAOYSA-N
MW759.95 g/mol
LogP15.73
Rot. Bonds5

About N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline

N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline (PubChem CID 90164601) has the molecular formula C59H37N and a molecular weight of 759.95 g/mol. Its IUPAC name is N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline
PubChem CID90164601
Molecular FormulaC59H37N
Molecular Weight759.95 g/mol
Exact Mass759.29
IUPAC NameN,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc6ccc(c3)c4c56)cc2)cc1
InChIInChI=1S/C59H37N/c1-3-13-46(14-4-1)60(47-15-5-2-6-16-47)48-30-27-38(28-31-48)44-33-40-23-25-42-35-45(36-43-26-24-41(34-44)57(40)58(42)43)39-29-32-52-51-19-9-12-22-55(51)59(56(52)37-39)53-20-10-7-17-49(53)50-18-8-11-21-54(50)59/h1-37H
InChIKeyXXRRVPWKMCHLNQ-UHFFFAOYSA-N
XLogP15.73
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 ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 144781112
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-phenyl-N-(4-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]-11'-amine
CID 155079035
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 88886994
N-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 134568039
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 130260406
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline (CID 90164601) is N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc6ccc(c3)c4c56)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline?
The InChIKey is XXRRVPWKMCHLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N/c1-3-13-46(14-4-1)60(47-15-5-2-6-16-47)48-30-27-38(28-31-48)44-33-40-23-25-42-35-45(36-43-26-24-41(34-44)57(40)58(42)43)39-29-32-52-51-19-9-12-22-55(51)59(56(52)37-39)53-20-10-7-17-49(53)50-18-8-11-21-54(50)59/h1-37H.
What are the key properties of N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline?
N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline has a molecular weight of 759.95 g/mol, XLogP of 15.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline is sourced from PubChem (CID 90164601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).