N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine

C30H17Br2F4NO — CID 148635885

IUPACN,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine
SMILESFC1(F)OC(F)(F)c2cc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)ccc21
InChIInChI=1S/C30H17Br2F4NO/c31-19-6-10-21(11-7-19)37(22-12-8-20(32)9-13-22)28-16-14-23(24-3-1-2-4-25(24)28)18-5-15-26-27(17-18)30(35,36)38-29(26,33)34/h1-17H
InChIKeyNJBFHXLSQHUPJJ-UHFFFAOYSA-N
MW643.27 g/mol
LogP10.63
Rot. Bonds4

About N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine

N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine (PubChem CID 148635885) has the molecular formula C30H17Br2F4NO and a molecular weight of 643.27 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine
PubChem CID148635885
Molecular FormulaC30H17Br2F4NO
Molecular Weight643.27 g/mol
Exact Mass640.96
IUPAC NameN,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine
SMILESFC1(F)OC(F)(F)c2cc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)ccc21
InChIInChI=1S/C30H17Br2F4NO/c31-19-6-10-21(11-7-19)37(22-12-8-20(32)9-13-22)28-16-14-23(24-3-1-2-4-25(24)28)18-5-15-26-27(17-18)30(35,36)38-29(26,33)34/h1-17H
InChIKeyNJBFHXLSQHUPJJ-UHFFFAOYSA-N
XLogP10.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.27
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine
CID 142500541
N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine
CID 147984412
2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline
CID 142500531
N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine
CID 152933278
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 153292219
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
CID 168750034
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
CID 153294011
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;ethane;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 160684370
N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 158475864

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine?
The IUPAC name of N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine (CID 148635885) is N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine.
What is the SMILES notation for N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine?
The canonical SMILES for N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine is FC1(F)OC(F)(F)c2cc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)ccc21.
What is the InChIKey of N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine?
The InChIKey is NJBFHXLSQHUPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17Br2F4NO/c31-19-6-10-21(11-7-19)37(22-12-8-20(32)9-13-22)28-16-14-23(24-3-1-2-4-25(24)28)18-5-15-26-27(17-18)30(35,36)38-29(26,33)34/h1-17H.
What are the key properties of N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine?
N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine has a molecular weight of 643.27 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine is sourced from PubChem (CID 148635885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).