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

C38H37Br2NO — CID 152933278

IUPACN,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine
SMILESCCC1(CC)OC(CC)(CC)c2cc(-c3cc4ccccc4cc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc21
InChIInChI=1S/C38H37Br2NO/c1-5-37(6-2)34-22-13-28(24-35(34)38(7-3,8-4)42-37)33-23-26-11-9-10-12-27(26)25-36(33)41(31-18-14-29(39)15-19-31)32-20-16-30(40)17-21-32/h9-25H,5-8H2,1-4H3
InChIKeyULJRBNIEMLJUPX-UHFFFAOYSA-N
MW683.53 g/mol
LogP12.56
Rot. Bonds8

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

N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine (PubChem CID 152933278) has the molecular formula C38H37Br2NO and a molecular weight of 683.53 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine
PubChem CID152933278
Molecular FormulaC38H37Br2NO
Molecular Weight683.53 g/mol
Exact Mass681.12
IUPAC NameN,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine
SMILESCCC1(CC)OC(CC)(CC)c2cc(-c3cc4ccccc4cc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc21
InChIInChI=1S/C38H37Br2NO/c1-5-37(6-2)34-22-13-28(24-35(34)38(7-3,8-4)42-37)33-23-26-11-9-10-12-27(26)25-36(33)41(31-18-14-29(39)15-19-31)32-20-16-30(40)17-21-32/h9-25H,5-8H2,1-4H3
InChIKeyULJRBNIEMLJUPX-UHFFFAOYSA-N
XLogP12.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.53
LogP ≤ 512.56
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)-10-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)anthracen-9-amine
CID 142500623
N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine
CID 148635885
2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 176633878
3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588172
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
N-[4-[2-(4-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327931
4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine
CID 159957183
N,N-bis(4-bromophenyl)-2-(2,2,3,3,4,5,5,6,6-nonamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)aniline
CID 142500271
N-[4-(4-bromophenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160874814
N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
CID 153294011

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine?
The IUPAC name of N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine (CID 152933278) is N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine.
What is the SMILES notation for N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine?
The canonical SMILES for N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine is CCC1(CC)OC(CC)(CC)c2cc(-c3cc4ccccc4cc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc21.
What is the InChIKey of N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine?
The InChIKey is ULJRBNIEMLJUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37Br2NO/c1-5-37(6-2)34-22-13-28(24-35(34)38(7-3,8-4)42-37)33-23-26-11-9-10-12-27(26)25-36(33)41(31-18-14-29(39)15-19-31)32-20-16-30(40)17-21-32/h9-25H,5-8H2,1-4H3.
What are the key properties of N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine?
N,N-bis(4-bromophenyl)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine has a molecular weight of 683.53 g/mol, XLogP of 12.56, 8 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)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine is sourced from PubChem (CID 152933278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).