N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline

C53H36FN — CID 135299717

IUPACN-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline
SMILESFc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccccc6c4-5)cc3)cc2)cc1
InChIInChI=1S/C53H36FN/c54-44-28-20-37(21-29-44)38-22-30-46(31-23-38)55(45-17-8-3-9-18-45)47-32-24-39(25-33-47)41-26-34-49-51(36-41)53(42-13-4-1-5-14-42,43-15-6-2-7-16-43)50-35-27-40-12-10-11-19-48(40)52(49)50/h1-36H
InChIKeyWLLHAVWQKWCITM-UHFFFAOYSA-N
MW705.88 g/mol
LogP14.15
Rot. Bonds7

About N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline

N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline (PubChem CID 135299717) has the molecular formula C53H36FN and a molecular weight of 705.88 g/mol. Its IUPAC name is N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline
PubChem CID135299717
Molecular FormulaC53H36FN
Molecular Weight705.88 g/mol
Exact Mass705.28
IUPAC NameN-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline
SMILESFc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccccc6c4-5)cc3)cc2)cc1
InChIInChI=1S/C53H36FN/c54-44-28-20-37(21-29-44)38-22-30-46(31-23-38)55(45-17-8-3-9-18-45)47-32-24-39(25-33-47)41-26-34-49-51(36-41)53(42-13-4-1-5-14-42,43-15-6-2-7-16-43)50-35-27-40-12-10-11-19-48(40)52(49)50/h1-36H
InChIKeyWLLHAVWQKWCITM-UHFFFAOYSA-N
XLogP14.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.88
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 135299735
N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 135299725
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,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline
CID 102596367
N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193960
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
N-(7,7-dimethylbenzo[c]fluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine;N-(7,7-dimethylbenzo[c]fluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[c]fluoren-2-amine
CID 159928886
7,7-diphenyl-N,N-bis(4-phenylphenyl)benzo[c]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[c]fluoren-11-amine;N,N,7,7-tetraphenylbenzo[c]fluoren-4-amine;N,7,7-triphenyl-N-(4-phenylphenyl)benzo[c]fluoren-4-amine
CID 160577595
N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
CID 164730880
N-phenyl-N-(4-phenylphenyl)-8-spiro[benzo[g]fluorene-7,9'-fluorene]-9-yldibenzofuran-2-amine
CID 135299719

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline?
The IUPAC name of N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline (CID 135299717) is N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline.
What is the SMILES notation for N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline?
The canonical SMILES for N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline is Fc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccccc6c4-5)cc3)cc2)cc1.
What is the InChIKey of N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline?
The InChIKey is WLLHAVWQKWCITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36FN/c54-44-28-20-37(21-29-44)38-22-30-46(31-23-38)55(45-17-8-3-9-18-45)47-32-24-39(25-33-47)41-26-34-49-51(36-41)53(42-13-4-1-5-14-42,43-15-6-2-7-16-43)50-35-27-40-12-10-11-19-48(40)52(49)50/h1-36H.
What are the key properties of N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline?
N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline has a molecular weight of 705.88 g/mol, XLogP of 14.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-4-(4-fluorophenyl)-N-phenylaniline is sourced from PubChem (CID 135299717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).