N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline

C54H43N — CID 59757697

IUPACN,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C54H43N/c1-53(2)49-16-10-8-14-45(49)47-32-24-40(34-51(47)53)38-20-28-43(29-21-38)55(42-26-18-37(19-27-42)36-12-6-5-7-13-36)44-30-22-39(23-31-44)41-25-33-48-46-15-9-11-17-50(46)54(3,4)52(48)35-41/h5-35H,1-4H3
InChIKeyTVGKIXCPUWSCTR-UHFFFAOYSA-N
MW705.95 g/mol
LogP14.77
Rot. Bonds6

About N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline

N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline (PubChem CID 59757697) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
PubChem CID59757697
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC NameN,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C54H43N/c1-53(2)49-16-10-8-14-45(49)47-32-24-40(34-51(47)53)38-20-28-43(29-21-38)55(42-26-18-37(19-27-42)36-12-6-5-7-13-36)44-30-22-39(23-31-44)41-25-33-48-46-15-9-11-17-50(46)54(3,4)52(48)35-41/h5-35H,1-4H3
InChIKeyTVGKIXCPUWSCTR-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
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-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123165581
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline?
The IUPAC name of N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline (CID 59757697) is N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.
What is the InChIKey of N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline?
The InChIKey is TVGKIXCPUWSCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-53(2)49-16-10-8-14-45(49)47-32-24-40(34-51(47)53)38-20-28-43(29-21-38)55(42-26-18-37(19-27-42)36-12-6-5-7-13-36)44-30-22-39(23-31-44)41-25-33-48-46-15-9-11-17-50(46)54(3,4)52(48)35-41/h5-35H,1-4H3.
What are the key properties of N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline?
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline has a molecular weight of 705.95 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 59757697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).