N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine

C57H37NO2 — CID 146365250

IUPACN-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C57H37NO2/c1-3-15-38(16-4-1)39-27-31-42(32-28-39)58(43-33-29-41(30-34-43)46-20-8-7-19-45(46)40-17-5-2-6-18-40)44-35-36-52-54(37-44)59-55-49-23-11-14-26-53(49)60-56(55)57(52)50-24-12-9-21-47(50)48-22-10-13-25-51(48)57/h1-37H
InChIKeyTUGWAPVRKHJCCG-UHFFFAOYSA-N
MW767.93 g/mol
LogP15.37
Rot. Bonds6

About N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine

N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine (PubChem CID 146365250) has the molecular formula C57H37NO2 and a molecular weight of 767.93 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
PubChem CID146365250
Molecular FormulaC57H37NO2
Molecular Weight767.93 g/mol
Exact Mass767.28
IUPAC NameN-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C57H37NO2/c1-3-15-38(16-4-1)39-27-31-42(32-28-39)58(43-33-29-41(30-34-43)46-20-8-7-19-45(46)40-17-5-2-6-18-40)44-35-36-52-54(37-44)59-55-49-23-11-14-26-53(49)60-56(55)57(52)50-24-12-9-21-47(50)48-22-10-13-25-51(48)57/h1-37H
InChIKeyTUGWAPVRKHJCCG-UHFFFAOYSA-N
XLogP15.37
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.93
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365158
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 159689276
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365284
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine
CID 146365117
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 157265622
N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365352
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365355
N-(3,4-diphenylphenyl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
CID 146365291
2-N'-naphthalen-2-yl-7-N',7-N'-diphenyl-2-N'-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-2',7'-diamine
CID 146365095
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine
CID 158227613
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365340

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine (CID 146365250) is N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
The InChIKey is TUGWAPVRKHJCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO2/c1-3-15-38(16-4-1)39-27-31-42(32-28-39)58(43-33-29-41(30-34-43)46-20-8-7-19-45(46)40-17-5-2-6-18-40)44-35-36-52-54(37-44)59-55-49-23-11-14-26-53(49)60-56(55)57(52)50-24-12-9-21-47(50)48-22-10-13-25-51(48)57/h1-37H.
What are the key properties of N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine has a molecular weight of 767.93 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine is sourced from PubChem (CID 146365250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).