N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline

C33H31Br2N — CID 142500784

IUPACN,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline
SMILESC=C(C)c1ccc(-c2cccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)c2)cc1C1(C)CCCC1
InChIInChI=1S/C33H31Br2N/c1-23(2)31-18-9-25(22-32(31)33(3)19-4-5-20-33)24-7-6-8-30(21-24)36(28-14-10-26(34)11-15-28)29-16-12-27(35)13-17-29/h6-18,21-22H,1,4-5,19-20H2,2-3H3
InChIKeyWHZJPMXCYPOVDH-UHFFFAOYSA-N
MW601.43 g/mol
LogP11.21
Rot. Bonds6

About N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline

N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline (PubChem CID 142500784) has the molecular formula C33H31Br2N and a molecular weight of 601.43 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline
PubChem CID142500784
Molecular FormulaC33H31Br2N
Molecular Weight601.43 g/mol
Exact Mass599.08
IUPAC NameN,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline
SMILESC=C(C)c1ccc(-c2cccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)c2)cc1C1(C)CCCC1
InChIInChI=1S/C33H31Br2N/c1-23(2)31-18-9-25(22-32(31)33(3)19-4-5-20-33)24-7-6-8-30(21-24)36(28-14-10-26(34)11-15-28)29-16-12-27(35)13-17-29/h6-18,21-22H,1,4-5,19-20H2,2-3H3
InChIKeyWHZJPMXCYPOVDH-UHFFFAOYSA-N
XLogP11.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.43
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline
CID 142500772
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline
CID 149451842
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
1-N,3-N-bis(4-bromophenyl)-3-N-[3-(7-tetracyclo[8.2.1.01,3.04,9]trideca-4(9),5,7-trienyl)phenyl]-1-N-[3-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]benzene-1,3-diamine
CID 142500694
1-N,3-N-bis(4-bromophenyl)-1-N,3-N-bis[3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]benzene-1,3-diamine
CID 142500420
3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 121443838
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,N-bis(4-bromophenyl)-4-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-3-methylaniline
CID 142500084
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764738

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline?
The IUPAC name of N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline (CID 142500784) is N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline is C=C(C)c1ccc(-c2cccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)c2)cc1C1(C)CCCC1.
What is the InChIKey of N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline?
The InChIKey is WHZJPMXCYPOVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31Br2N/c1-23(2)31-18-9-25(22-32(31)33(3)19-4-5-20-33)24-7-6-8-30(21-24)36(28-14-10-26(34)11-15-28)29-16-12-27(35)13-17-29/h6-18,21-22H,1,4-5,19-20H2,2-3H3.
What are the key properties of N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline?
N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline has a molecular weight of 601.43 g/mol, XLogP of 11.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline is sourced from PubChem (CID 142500784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).