N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C59H37NO — CID 167402851

IUPACN-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2cccc3c2oc2c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/C59H37NO/c1-3-17-38(18-4-1)43-28-16-29-50-52-37-51(44-23-7-8-27-49(44)58(52)61-57(43)50)39-19-15-22-41(35-39)60(40-20-5-2-6-21-40)42-33-34-48-47-26-11-14-32-55(47)59(56(48)36-42)53-30-12-9-24-45(53)46-25-10-13-31-54(46)59/h1-37H
InChIKeyPXRJJQURGAAXHR-UHFFFAOYSA-N
MW775.95 g/mol
LogP15.89
Rot. Bonds5

About N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167402851) has the molecular formula C59H37NO and a molecular weight of 775.95 g/mol. Its IUPAC name is N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID167402851
Molecular FormulaC59H37NO
Molecular Weight775.95 g/mol
Exact Mass775.29
IUPAC NameN-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2cccc3c2oc2c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/C59H37NO/c1-3-17-38(18-4-1)43-28-16-29-50-52-37-51(44-23-7-8-27-49(44)58(52)61-57(43)50)39-19-15-22-41(35-39)60(40-20-5-2-6-21-40)42-33-34-48-47-26-11-14-32-55(47)59(56(48)36-42)53-30-12-9-24-45(53)46-25-10-13-31-54(46)59/h1-37H
InChIKeyPXRJJQURGAAXHR-UHFFFAOYSA-N
XLogP15.89
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.95
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168805215
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-[3-(7,10-diphenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253257
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 167403354
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167402717
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 167402851) is N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2cccc3c2oc2c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)cc32)cc1.
What is the InChIKey of N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is PXRJJQURGAAXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO/c1-3-17-38(18-4-1)43-28-16-29-50-52-37-51(44-23-7-8-27-49(44)58(52)61-57(43)50)39-19-15-22-41(35-39)60(40-20-5-2-6-21-40)42-33-34-48-47-26-11-14-32-55(47)59(56(48)36-42)53-30-12-9-24-45(53)46-25-10-13-31-54(46)59/h1-37H.
What are the key properties of N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 775.95 g/mol, XLogP of 15.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167402851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).