4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline

C51H44N2 — CID 91388794

IUPAC4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline
SMILESCC1(C)C2=C(CCC(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C51H44N2/c1-51(2)49-35-39(37-23-29-45(30-24-37)52(41-15-7-3-8-16-41)42-17-9-4-10-18-42)27-33-47(49)48-34-28-40(36-50(48)51)38-25-31-46(32-26-38)53(43-19-11-5-12-20-43)44-21-13-6-14-22-44/h3-27,29-33,35,40H,28,34,36H2,1-2H3
InChIKeyJWLZSVQCBIRZSP-UHFFFAOYSA-N
MW684.93 g/mol
LogP14.31
Rot. Bonds8

About 4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline

4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline (PubChem CID 91388794) has the molecular formula C51H44N2 and a molecular weight of 684.93 g/mol. Its IUPAC name is 4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline
PubChem CID91388794
Molecular FormulaC51H44N2
Molecular Weight684.93 g/mol
Exact Mass684.35
IUPAC Name4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline
SMILESCC1(C)C2=C(CCC(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C51H44N2/c1-51(2)49-35-39(37-23-29-45(30-24-37)52(41-15-7-3-8-16-41)42-17-9-4-10-18-42)27-33-47(49)48-34-28-40(36-50(48)51)38-25-31-46(32-26-38)53(43-19-11-5-12-20-43)44-21-13-6-14-22-44/h3-27,29-33,35,40H,28,34,36H2,1-2H3
InChIKeyJWLZSVQCBIRZSP-UHFFFAOYSA-N
XLogP14.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.93
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738709
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
5-[7-[3,5-bis(N-(4-phenylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 59510953
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
4-N-[4-(4-cyclopropylphenyl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 54264729
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361

Frequently Asked Questions

What is the IUPAC name of 4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline (CID 91388794) is 4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline is CC1(C)C2=C(CCC(c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of 4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline?
The InChIKey is JWLZSVQCBIRZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44N2/c1-51(2)49-35-39(37-23-29-45(30-24-37)52(41-15-7-3-8-16-41)42-17-9-4-10-18-42)27-33-47(49)48-34-28-40(36-50(48)51)38-25-31-46(32-26-38)53(43-19-11-5-12-20-43)44-21-13-6-14-22-44/h3-27,29-33,35,40H,28,34,36H2,1-2H3.
What are the key properties of 4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline?
4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline has a molecular weight of 684.93 g/mol, XLogP of 14.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,9-dimethyl-7-[4-(N-phenylanilino)phenyl]-1,2,3,4-tetrahydrofluoren-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 91388794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).