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

C55H41N — CID 168790736

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5ccccc45)cc3)cc21
InChIInChI=1S/C55H41N/c1-55(2)50-28-14-13-25-47(50)48-36-33-42(37-51(48)55)38-31-34-43(35-32-38)56(52-29-15-22-40-21-9-10-24-45(40)52)53-30-16-27-46(41-19-7-4-8-20-41)54(53)49-26-12-11-23-44(49)39-17-5-3-6-18-39/h3-37H,1-2H3
InChIKeyBFRLHWFIVJYJEA-UHFFFAOYSA-N
MW715.94 g/mol
LogP15.28
Rot. Bonds7

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

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 168790736) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID168790736
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5ccccc45)cc3)cc21
InChIInChI=1S/C55H41N/c1-55(2)50-28-14-13-25-47(50)48-36-33-42(37-51(48)55)38-31-34-43(35-32-38)56(52-29-15-22-40-21-9-10-24-45(40)52)53-30-16-27-46(41-19-7-4-8-20-41)54(53)49-26-12-11-23-44(49)39-17-5-3-6-18-39/h3-37H,1-2H3
InChIKeyBFRLHWFIVJYJEA-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788736
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789557
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167285886
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
9,9-dimethyl-N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789148
9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 177274461
9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 177274896
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine (CID 168790736) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5ccccc45)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is BFRLHWFIVJYJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)50-28-14-13-25-47(50)48-36-33-42(37-51(48)55)38-31-34-43(35-32-38)56(52-29-15-22-40-21-9-10-24-45(40)52)53-30-16-27-46(41-19-7-4-8-20-41)54(53)49-26-12-11-23-44(49)39-17-5-3-6-18-39/h3-37H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 715.94 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 168790736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).