N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine

C52H36N2 — CID 170652844

IUPACN,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine
SMILESc1ccc(-c2cc3ccccc3nc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)cc1
InChIInChI=1S/C52H36N2/c1-6-18-37(19-7-1)46-34-38-20-16-17-29-50(38)53-51(46)39-30-32-45-47-36-44(54(42-25-12-4-13-26-42)43-27-14-5-15-28-43)31-33-48(47)52(49(45)35-39,40-21-8-2-9-22-40)41-23-10-3-11-24-41/h1-36H
InChIKeyCXEILQLVDBGULU-UHFFFAOYSA-N
MW688.87 g/mol
LogP13.40
Rot. Bonds7

About N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine

N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine (PubChem CID 170652844) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine.

Molecular Properties

Compound NameN,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine
PubChem CID170652844
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine
SMILESc1ccc(-c2cc3ccccc3nc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)cc1
InChIInChI=1S/C52H36N2/c1-6-18-37(19-7-1)46-34-38-20-16-17-29-50(38)53-51(46)39-30-32-45-47-36-44(54(42-25-12-4-13-26-42)43-27-14-5-15-28-43)31-33-48(47)52(49(45)35-39,40-21-8-2-9-22-40)41-23-10-3-11-24-41/h1-36H
InChIKeyCXEILQLVDBGULU-UHFFFAOYSA-N
XLogP13.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 118145832
N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine
CID 170652778
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine
CID 170653015
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-phenylquinolin-2-yl)phenyl]fluoren-2-amine
CID 170652875
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline
CID 170652868

Frequently Asked Questions

What is the IUPAC name of N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine?
The IUPAC name of N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine (CID 170652844) is N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine.
What is the SMILES notation for N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine?
The canonical SMILES for N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine is c1ccc(-c2cc3ccccc3nc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc(N(c4ccccc4)c4ccccc4)cc2-3)cc1.
What is the InChIKey of N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine?
The InChIKey is CXEILQLVDBGULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-6-18-37(19-7-1)46-34-38-20-16-17-29-50(38)53-51(46)39-30-32-45-47-36-44(54(42-25-12-4-13-26-42)43-27-14-5-15-28-43)31-33-48(47)52(49(45)35-39,40-21-8-2-9-22-40)41-23-10-3-11-24-41/h1-36H.
What are the key properties of N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine?
N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine has a molecular weight of 688.87 g/mol, XLogP of 13.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine is sourced from PubChem (CID 170652844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).