N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

C59H42FN — CID 170665590

IUPACN-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccc(F)cc5)c5ccccc45)c3-c3ccccc3)cccc21
InChIInChI=1S/C59H42FN/c1-59(2)53-26-11-10-22-52(53)58-51(24-13-27-54(58)59)50-25-14-28-56(57(50)42-16-4-3-5-17-42)61(44-35-31-41(32-36-44)46-23-12-18-39-15-6-7-19-45(39)46)55-38-37-47(40-29-33-43(60)34-30-40)48-20-8-9-21-49(48)55/h3-38H,1-2H3
InChIKeyXWSYRRNVGRRUJJ-UHFFFAOYSA-N
MW783.99 g/mol
LogP16.58
Rot. Bonds7

About N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (PubChem CID 170665590) has the molecular formula C59H42FN and a molecular weight of 783.99 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
PubChem CID170665590
Molecular FormulaC59H42FN
Molecular Weight783.99 g/mol
Exact Mass783.33
IUPAC NameN-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccc(F)cc5)c5ccccc45)c3-c3ccccc3)cccc21
InChIInChI=1S/C59H42FN/c1-59(2)53-26-11-10-22-52(53)58-51(24-13-27-54(58)59)50-25-14-28-56(57(50)42-16-4-3-5-17-42)61(44-35-31-41(32-36-44)46-23-12-18-39-15-6-7-19-45(39)46)55-38-37-47(40-29-33-43(60)34-30-40)48-20-8-9-21-49(48)55/h3-38H,1-2H3
InChIKeyXWSYRRNVGRRUJJ-UHFFFAOYSA-N
XLogP16.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.99
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 170134747
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
9,9-dimethyl-N-(4-naphthalen-1-yl-2,6-diphenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 155181943
9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170134948
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 169039673
N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine
CID 170666047

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (CID 170665590) is N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is CC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccc(F)cc5)c5ccccc45)c3-c3ccccc3)cccc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The InChIKey is XWSYRRNVGRRUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42FN/c1-59(2)53-26-11-10-22-52(53)58-51(24-13-27-54(58)59)50-25-14-28-56(57(50)42-16-4-3-5-17-42)61(44-35-31-41(32-36-44)46-23-12-18-39-15-6-7-19-45(39)46)55-38-37-47(40-29-33-43(60)34-30-40)48-20-8-9-21-49(48)55/h3-38H,1-2H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine has a molecular weight of 783.99 g/mol, XLogP of 16.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-4-yl)-2-phenylphenyl]-4-(4-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170665590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).