9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine

C57H43N — CID 166676983

IUPAC9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5c(-c6ccccc6)cc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C57H43N/c1-57(2)54-26-16-15-25-50(54)51-36-35-49(39-55(51)57)58(47-23-13-6-14-24-47)48-33-31-42(32-34-48)41-27-29-45(30-28-41)56-52(43-19-9-4-10-20-43)37-46(40-17-7-3-8-18-40)38-53(56)44-21-11-5-12-22-44/h3-39H,1-2H3
InChIKeyBQTHTVOWAFBTPB-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.80
Rot. Bonds8

About 9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 166676983) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine
PubChem CID166676983
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5c(-c6ccccc6)cc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C57H43N/c1-57(2)54-26-16-15-25-50(54)51-36-35-49(39-55(51)57)58(47-23-13-6-14-24-47)48-33-31-42(32-34-48)41-27-29-45(30-28-41)56-52(43-19-9-4-10-20-43)37-46(40-17-7-3-8-18-40)38-53(56)44-21-11-5-12-22-44/h3-39H,1-2H3
InChIKeyBQTHTVOWAFBTPB-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 177286731
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
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
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-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-phenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 135137313
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine (CID 166676983) is 9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5c(-c6ccccc6)cc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is BQTHTVOWAFBTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-57(2)54-26-16-15-25-50(54)51-36-35-49(39-55(51)57)58(47-23-13-6-14-24-47)48-33-31-42(32-34-48)41-27-29-45(30-28-41)56-52(43-19-9-4-10-20-43)37-46(40-17-7-3-8-18-40)38-53(56)44-21-11-5-12-22-44/h3-39H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 741.98 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 166676983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).