5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride

C48H38Br2Cl2FN3 — CID 163457371

IUPAC5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride
SMILESClc1cc(Br)cc(Br)c1.Clc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.F.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C30H23ClN2.C12H11N.C6H3Br2Cl.FH/c31-24-21-29(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)23-30(22-24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-4-1-5(8)3-6(9)2-4;/h1-23H;1-10,13H;1-3H;1H
InChIKeyBLPMGOIQSZGAND-UHFFFAOYSA-N
MW906.57 g/mol
LogP16.73
Rot. Bonds8

About 5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride

5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride (PubChem CID 163457371) has the molecular formula C48H38Br2Cl2FN3 and a molecular weight of 906.57 g/mol. Its IUPAC name is 5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride.

Molecular Properties

Compound Name5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride
PubChem CID163457371
Molecular FormulaC48H38Br2Cl2FN3
Molecular Weight906.57 g/mol
Exact Mass903.08
IUPAC Name5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride
SMILESClc1cc(Br)cc(Br)c1.Clc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.F.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C30H23ClN2.C12H11N.C6H3Br2Cl.FH/c31-24-21-29(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)23-30(22-24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-4-1-5(8)3-6(9)2-4;/h1-23H;1-10,13H;1-3H;1H
InChIKeyBLPMGOIQSZGAND-UHFFFAOYSA-N
XLogP16.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.57
LogP ≤ 516.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

aniline;1-bromo-3-chlorobenzene;3-chloro-N,N-diphenylaniline;N-phenylaniline;1-N,3-N,3-N-triphenylbenzene-1,3-diamine
CID 158509047
5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 159873975
azane;3,5-dibromo-N,N-diphenylaniline;1-N,3-N-di(dibenzo-p-dioxin-2-yl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine;N-phenyldibenzo-p-dioxin-2-amine;hydrate
CID 158286803
3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 67786435
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
3-bromo-5-(2-chlorophenyl)-N,N-diphenylaniline
CID 166495321
1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142252530
N-(3-bromo-5-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)-N-phenyl-1-benzofuran-6-amine
CID 164708846
2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 162199805

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride?
The IUPAC name of 5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride (CID 163457371) is 5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride.
What is the SMILES notation for 5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride?
The canonical SMILES for 5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride is Clc1cc(Br)cc(Br)c1.Clc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.F.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride?
The InChIKey is BLPMGOIQSZGAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN2.C12H11N.C6H3Br2Cl.FH/c31-24-21-29(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)23-30(22-24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-4-1-5(8)3-6(9)2-4;/h1-23H;1-10,13H;1-3H;1H.
What are the key properties of 5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride?
5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride has a molecular weight of 906.57 g/mol, XLogP of 16.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1,3-dibromo-5-chlorobenzene;N-phenylaniline;hydrofluoride is sourced from PubChem (CID 163457371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).