N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine

C53H35N — CID 134193960

IUPACN-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1
InChIInChI=1S/C53H35N/c1-3-14-36(15-4-1)38-26-29-41(30-27-38)54(42-20-13-19-40(34-42)37-16-5-2-6-17-37)43-31-32-47-51(35-43)53(50-33-28-39-18-7-8-21-44(39)52(47)50)48-24-11-9-22-45(48)46-23-10-12-25-49(46)53/h1-35H
InChIKeyBHRZEKKHHUYNND-UHFFFAOYSA-N
MW685.87 g/mol
LogP13.99
Rot. Bonds5

About N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine

N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine (PubChem CID 134193960) has the molecular formula C53H35N and a molecular weight of 685.87 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
PubChem CID134193960
Molecular FormulaC53H35N
Molecular Weight685.87 g/mol
Exact Mass685.28
IUPAC NameN-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1
InChIInChI=1S/C53H35N/c1-3-14-36(15-4-1)38-26-29-41(30-27-38)54(42-20-13-19-40(34-42)37-16-5-2-6-17-37)43-31-32-47-51(35-43)53(50-33-28-39-18-7-8-21-44(39)52(47)50)48-24-11-9-22-45(48)46-23-10-12-25-49(46)53/h1-35H
InChIKeyBHRZEKKHHUYNND-UHFFFAOYSA-N
XLogP13.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134194037
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134240776
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193952
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 159953736
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline
CID 102596367
N-phenyl-N-(4-phenylphenyl)-8-spiro[benzo[g]fluorene-7,9'-fluorene]-9-yldibenzofuran-2-amine
CID 135299719
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164949149

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine (CID 134193960) is N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
The InChIKey is BHRZEKKHHUYNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N/c1-3-14-36(15-4-1)38-26-29-41(30-27-38)54(42-20-13-19-40(34-42)37-16-5-2-6-17-37)43-31-32-47-51(35-43)53(50-33-28-39-18-7-8-21-44(39)52(47)50)48-24-11-9-22-45(48)46-23-10-12-25-49(46)53/h1-35H.
What are the key properties of N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine has a molecular weight of 685.87 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine is sourced from PubChem (CID 134193960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).