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

C38H37Br2NO — CID 142500541

IUPACN,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine
SMILESCCC1(CC)OC(CC)(CC)c2cc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)ccc21
InChIInChI=1S/C38H37Br2NO/c1-5-37(6-2)34-23-13-26(25-35(34)38(7-3,8-4)42-37)31-22-24-36(33-12-10-9-11-32(31)33)41(29-18-14-27(39)15-19-29)30-20-16-28(40)17-21-30/h9-25H,5-8H2,1-4H3
InChIKeyRMHMNPSEAQSHDM-UHFFFAOYSA-N
MW683.53 g/mol
LogP12.56
Rot. Bonds8

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

N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine (PubChem CID 142500541) has the molecular formula C38H37Br2NO and a molecular weight of 683.53 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine
PubChem CID142500541
Molecular FormulaC38H37Br2NO
Molecular Weight683.53 g/mol
Exact Mass681.12
IUPAC NameN,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine
SMILESCCC1(CC)OC(CC)(CC)c2cc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)ccc21
InChIInChI=1S/C38H37Br2NO/c1-5-37(6-2)34-23-13-26(25-35(34)38(7-3,8-4)42-37)31-22-24-36(33-12-10-9-11-32(31)33)41(29-18-14-27(39)15-19-29)30-20-16-28(40)17-21-30/h9-25H,5-8H2,1-4H3
InChIKeyRMHMNPSEAQSHDM-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)-3-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-2-amine
CID 152933278
N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine
CID 148635885
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-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine
CID 147984412
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
CID 168750034
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
N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
CID 153294011
N-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine
CID 166987766
N-[4-[2-(4-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327931
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine?
The IUPAC name of N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine (CID 142500541) is N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine.
What is the SMILES notation for N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine?
The canonical SMILES for N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine is CCC1(CC)OC(CC)(CC)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-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine?
The InChIKey is RMHMNPSEAQSHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37Br2NO/c1-5-37(6-2)34-23-13-26(25-35(34)38(7-3,8-4)42-37)31-22-24-36(33-12-10-9-11-32(31)33)41(29-18-14-27(39)15-19-29)30-20-16-28(40)17-21-30/h9-25H,5-8H2,1-4H3.
What are the key properties of N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine?
N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-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)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine is sourced from PubChem (CID 142500541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).