9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine

C59H43N — CID 169020071

IUPAC9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c3)c3cccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c3)cccc21
InChIInChI=1S/C59H43N/c1-59(2)55-21-8-7-20-54(55)58-56(59)22-11-23-57(58)60(52-18-9-16-48(38-52)42-24-28-44(29-25-42)50-34-32-40-12-3-5-14-46(40)36-50)53-19-10-17-49(39-53)43-26-30-45(31-27-43)51-35-33-41-13-4-6-15-47(41)37-51/h3-39H,1-2H3
InChIKeyXCWLDPLRGXVKCM-UHFFFAOYSA-N
MW766.00 g/mol
LogP16.44
Rot. Bonds7

About 9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine

9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine (PubChem CID 169020071) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
PubChem CID169020071
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC Name9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c3)c3cccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c3)cccc21
InChIInChI=1S/C59H43N/c1-59(2)55-21-8-7-20-54(55)58-56(59)22-11-23-57(58)60(52-18-9-16-48(38-52)42-24-28-44(29-25-42)50-34-32-40-12-3-5-14-46(40)36-50)53-19-10-17-49(39-53)43-26-30-45(31-27-43)51-35-33-41-13-4-6-15-47(41)37-51/h3-39H,1-2H3
InChIKeyXCWLDPLRGXVKCM-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019857
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117408
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183259
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 155181751
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine (CID 169020071) is 9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c3)c3cccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c3)cccc21.
What is the InChIKey of 9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine?
The InChIKey is XCWLDPLRGXVKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-59(2)55-21-8-7-20-54(55)58-56(59)22-11-23-57(58)60(52-18-9-16-48(38-52)42-24-28-44(29-25-42)50-34-32-40-12-3-5-14-46(40)36-50)53-19-10-17-49(39-53)43-26-30-45(31-27-43)51-35-33-41-13-4-6-15-47(41)37-51/h3-39H,1-2H3.
What are the key properties of 9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine?
9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine has a molecular weight of 766.00 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 169020071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).