N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine

C59H37NO — CID 174320690

IUPACN-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4c3oc3cccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c34)cc2)cc1
InChIInChI=1S/C59H37NO/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)49-36-41-18-7-8-21-44(41)56-57-54(28-15-29-55(57)61-58(49)56)60(42-19-5-2-6-20-42)43-34-35-48-47-24-11-14-27-52(47)59(53(48)37-43)50-25-12-9-22-45(50)46-23-10-13-26-51(46)59/h1-37H
InChIKeyCQAZVGZZWRSBTD-UHFFFAOYSA-N
MW775.95 g/mol
LogP15.89
Rot. Bonds5

About N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine

N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 174320690) has the molecular formula C59H37NO and a molecular weight of 775.95 g/mol. Its IUPAC name is N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID174320690
Molecular FormulaC59H37NO
Molecular Weight775.95 g/mol
Exact Mass775.29
IUPAC NameN-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4c3oc3cccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c34)cc2)cc1
InChIInChI=1S/C59H37NO/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)49-36-41-18-7-8-21-44(41)56-57-54(28-15-29-55(57)61-58(49)56)60(42-19-5-2-6-20-42)43-34-35-48-47-24-11-14-27-52(47)59(53(48)37-43)50-25-12-9-22-45(50)46-23-10-13-26-51(46)59/h1-37H
InChIKeyCQAZVGZZWRSBTD-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-(9,9-diphenylfluoren-2-yl)-N-phenyl-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320689
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320632
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176844315
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320773
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423223
N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 158322252
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 161172220
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730540
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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine (CID 174320690) is N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(-c2ccc(-c3cc4ccccc4c4c3oc3cccc(N(c5ccccc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c34)cc2)cc1.
What is the InChIKey of N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is CQAZVGZZWRSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO/c1-3-16-38(17-4-1)39-30-32-40(33-31-39)49-36-41-18-7-8-21-44(41)56-57-54(28-15-29-55(57)61-58(49)56)60(42-19-5-2-6-20-42)43-34-35-48-47-24-11-14-27-52(47)59(53(48)37-43)50-25-12-9-22-45(50)46-23-10-13-26-51(46)59/h1-37H.
What are the key properties of N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine?
N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-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-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 174320690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).