4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine

C59H37NO — CID 177130904

IUPAC4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccc6c(-c7ccccc7)cccc6c5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C59H37NO/c1-3-15-38(16-4-1)39-29-31-41(32-30-39)60(42-33-35-55-49(37-42)57-47-23-13-22-43(40-17-5-2-6-18-40)44(47)34-36-56(57)61-55)54-28-14-27-53-58(54)48-21-9-12-26-52(48)59(53)50-24-10-7-19-45(50)46-20-8-11-25-51(46)59/h1-37H
InChIKeyDUMCKWKSVIUSPB-UHFFFAOYSA-N
MW775.95 g/mol
LogP15.89
Rot. Bonds5

About 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine

4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 177130904) has the molecular formula C59H37NO and a molecular weight of 775.95 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID177130904
Molecular FormulaC59H37NO
Molecular Weight775.95 g/mol
Exact Mass775.29
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccc6c(-c7ccccc7)cccc6c5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C59H37NO/c1-3-15-38(16-4-1)39-29-31-41(32-30-39)60(42-33-35-55-49(37-42)57-47-23-13-22-43(40-17-5-2-6-18-40)44(47)34-36-56(57)61-55)54-28-14-27-53-58(54)48-21-9-12-26-52(48)59(53)50-24-10-7-19-45(50)46-20-8-11-25-51(46)59/h1-37H
InChIKeyDUMCKWKSVIUSPB-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

Analyze 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 176808426
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 118699638
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344
N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308524
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 121391790
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine (CID 177130904) is 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccc6c(-c7ccccc7)cccc6c5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is DUMCKWKSVIUSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO/c1-3-15-38(16-4-1)39-29-31-41(32-30-39)60(42-33-35-55-49(37-42)57-47-23-13-22-43(40-17-5-2-6-18-40)44(47)34-36-56(57)61-55)54-28-14-27-53-58(54)48-21-9-12-26-52(48)59(53)50-24-10-7-19-45(50)46-20-8-11-25-51(46)59/h1-37H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine?
4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-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 4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 177130904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).