N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline

C59H42FN — CID 123959545

IUPACN-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline
SMILESCC1(C)c2cc(C=Cc3ccc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)cc3)cc3ccc4cc(-c5ccc6ccccc6c5)cc1c4c23
InChIInChI=1S/C59H42FN/c1-59(2)53-33-40(32-46-28-29-47-35-48(37-54(59)57(47)56(46)53)45-27-26-42-16-12-13-19-44(42)34-45)23-22-39-24-30-51(31-25-39)61(50-20-10-5-11-21-50)58-52(43-17-8-4-9-18-43)36-49(38-55(58)60)41-14-6-3-7-15-41/h3-38H,1-2H3
InChIKeyRPUDOHREOXHNEG-UHFFFAOYSA-N
MW783.99 g/mol
LogP16.57
Rot. Bonds8

About N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline

N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline (PubChem CID 123959545) has the molecular formula C59H42FN and a molecular weight of 783.99 g/mol. Its IUPAC name is N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline.

Molecular Properties

Compound NameN-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline
PubChem CID123959545
Molecular FormulaC59H42FN
Molecular Weight783.99 g/mol
Exact Mass783.33
IUPAC NameN-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline
SMILESCC1(C)c2cc(C=Cc3ccc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)cc3)cc3ccc4cc(-c5ccc6ccccc6c5)cc1c4c23
InChIInChI=1S/C59H42FN/c1-59(2)53-33-40(32-46-28-29-47-35-48(37-54(59)57(47)56(46)53)45-27-26-42-16-12-13-19-44(42)34-45)23-22-39-24-30-51(31-25-39)61(50-20-10-5-11-21-50)58-52(43-17-8-4-9-18-43)36-49(38-55(58)60)41-14-6-3-7-15-41/h3-38H,1-2H3
InChIKeyRPUDOHREOXHNEG-UHFFFAOYSA-N
XLogP16.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.99
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline with MolForge

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Related Compounds

N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine
CID 123512775
9,9-dimethyl-N-(2-methyl-4-naphthalen-2-yl-6-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155221008
7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067755
9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine
CID 89067263
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-[(E)-2-phenylethenyl]fluoren-2-yl]-4,6-dimethyl-N-[4-[(E)-2-phenylethenyl]phenyl]pyrimidin-2-amine;4-[N-[9,9-dimethyl-7-[(E)-2-phenylethenyl]fluoren-2-yl]-4-[(E)-2-phenylethenyl]anilino]benzonitrile;9,9-dimethyl-7-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(2-fluoro-4,6-diphenylphenyl)-6-[(E)-2-phenylethenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]naphthalen-2-amine
CID 162197339
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene
CID 72533469
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine
CID 159741018
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 59246115

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline?
The IUPAC name of N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline (CID 123959545) is N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline.
What is the SMILES notation for N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline?
The canonical SMILES for N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline is CC1(C)c2cc(C=Cc3ccc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)cc3)cc3ccc4cc(-c5ccc6ccccc6c5)cc1c4c23.
What is the InChIKey of N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline?
The InChIKey is RPUDOHREOXHNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42FN/c1-59(2)53-33-40(32-46-28-29-47-35-48(37-54(59)57(47)56(46)53)45-27-26-42-16-12-13-19-44(42)34-45)23-22-39-24-30-51(31-25-39)61(50-20-10-5-11-21-50)58-52(43-17-8-4-9-18-43)36-49(38-55(58)60)41-14-6-3-7-15-41/h3-38H,1-2H3.
What are the key properties of N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline?
N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline has a molecular weight of 783.99 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(15,15-dimethyl-10-naphthalen-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)ethenyl]phenyl]-2-fluoro-N,4,6-triphenylaniline is sourced from PubChem (CID 123959545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).