N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine

C55H39N — CID 170140156

IUPACN-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c6ccccc6ccc54)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C55H39N/c1-55(2)53-20-8-7-17-51(53)52-30-28-44(35-54(52)55)56(43-15-9-14-40(34-43)41-22-21-36-11-3-4-13-39(36)33-41)42-26-23-38(24-27-42)46-18-10-19-47-48(46)31-32-49-45-16-6-5-12-37(45)25-29-50(47)49/h3-35H,1-2H3
InChIKeyGDESRNDTLHKWHW-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.41
Rot. Bonds5

About N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine

N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine (PubChem CID 170140156) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
PubChem CID170140156
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c6ccccc6ccc54)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C55H39N/c1-55(2)53-20-8-7-17-51(53)52-30-28-44(35-54(52)55)56(43-15-9-14-40(34-43)41-22-21-36-11-3-4-13-39(36)33-41)42-26-23-38(24-27-42)46-18-10-19-47-48(46)31-32-49-45-16-6-5-12-37(45)25-29-50(47)49/h3-35H,1-2H3
InChIKeyGDESRNDTLHKWHW-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-2,7-dinaphthalen-2-ylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1,8-diphenylphenanthrene
CID 162212406
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158189817
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
CID 170215462
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)benzo[c]phenanthren-2-amine
CID 167182297
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 176588375
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-ylaniline
CID 166566679
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170675865
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464839

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine?
The IUPAC name of N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine (CID 170140156) is N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c6ccccc6ccc54)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc21.
What is the InChIKey of N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine?
The InChIKey is GDESRNDTLHKWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-55(2)53-20-8-7-17-51(53)52-30-28-44(35-54(52)55)56(43-15-9-14-40(34-43)41-22-21-36-11-3-4-13-39(36)33-41)42-26-23-38(24-27-42)46-18-10-19-47-48(46)31-32-49-45-16-6-5-12-37(45)25-29-50(47)49/h3-35H,1-2H3.
What are the key properties of N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine?
N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine has a molecular weight of 713.92 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 170140156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).