N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline

C64H45N — CID 145003922

IUPACN-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline
SMILESC=Cc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c2)cc1C=C
InChIInChI=1S/C64H45N/c1-3-44-22-26-54(34-45(44)4-2)58-38-59(55-27-23-47-16-8-11-19-51(47)35-55)41-63(40-58)65(62-32-30-50(31-33-62)46-14-6-5-7-15-46)64-42-60(56-28-24-48-17-9-12-20-52(48)36-56)39-61(43-64)57-29-25-49-18-10-13-21-53(49)37-57/h3-43H,1-2H2
InChIKeyOHBVHZZHRUMYJM-UHFFFAOYSA-N
MW828.07 g/mol
LogP18.24
Rot. Bonds10

About N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline

N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline (PubChem CID 145003922) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline
PubChem CID145003922
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline
SMILESC=Cc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c2)cc1C=C
InChIInChI=1S/C64H45N/c1-3-44-22-26-54(34-45(44)4-2)58-38-59(55-27-23-47-16-8-11-19-51(47)35-55)41-63(40-58)65(62-32-30-50(31-33-62)46-14-6-5-7-15-46)64-42-60(56-28-24-48-17-9-12-20-52(48)36-56)39-61(43-64)57-29-25-49-18-10-13-21-53(49)37-57/h3-43H,1-2H2
InChIKeyOHBVHZZHRUMYJM-UHFFFAOYSA-N
XLogP18.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 146664121
5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770392
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 167323811
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N-[4-[4-(N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161155086
2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 23561347
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline (CID 145003922) is N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline is C=Cc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c2)cc1C=C.
What is the InChIKey of N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline?
The InChIKey is OHBVHZZHRUMYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-3-44-22-26-54(34-45(44)4-2)58-38-59(55-27-23-47-16-8-11-19-51(47)35-55)41-63(40-58)65(62-32-30-50(31-33-62)46-14-6-5-7-15-46)64-42-60(56-28-24-48-17-9-12-20-52(48)36-56)39-61(43-64)57-29-25-49-18-10-13-21-53(49)37-57/h3-43H,1-2H2.
What are the key properties of N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline?
N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline has a molecular weight of 828.07 g/mol, XLogP of 18.24, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,4-bis(ethenyl)phenyl]-5-naphthalen-2-ylphenyl]-3,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 145003922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).