N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine

C23H19Br2N — CID 142500167

IUPACN,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)C2CCC3C2)cc1
InChIInChI=1S/C23H19Br2N/c24-17-3-7-19(8-4-17)26(20-9-5-18(25)6-10-20)21-11-12-22-15-1-2-16(13-15)23(22)14-21/h3-12,14-16H,1-2,13H2
InChIKeyYFZBAWBNQKRCGX-UHFFFAOYSA-N
MW469.22 g/mol
LogP8.05
Rot. Bonds3

About N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine

N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine (PubChem CID 142500167) has the molecular formula C23H19Br2N and a molecular weight of 469.22 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine
PubChem CID142500167
Molecular FormulaC23H19Br2N
Molecular Weight469.22 g/mol
Exact Mass466.99
IUPAC NameN,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)C2CCC3C2)cc1
InChIInChI=1S/C23H19Br2N/c24-17-3-7-19(8-4-17)26(20-9-5-18(25)6-10-20)21-11-12-22-15-1-2-16(13-15)23(22)14-21/h3-12,14-16H,1-2,13H2
InChIKeyYFZBAWBNQKRCGX-UHFFFAOYSA-N
XLogP8.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.22
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine
CID 154593035
3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)benzene-1,3-diamine
CID 142500584
4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane
CID 159281045
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,1-N,3-N,3-N,5-N,5-N-hexakis(4-bromophenyl)benzene-1,3,5-triamine
CID 134943535
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline
CID 142951894
4-bromo-10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
CID 11345749
(1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 10797293
N,N-diphenyl-3-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)naphthalen-2-amine
CID 154592912
4-[2-(3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethenyl]-N,N-bis[4-[2-(3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)ethenyl]phenyl]aniline
CID 72575194
(1S,8S)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carboxylic acid
CID 124564050

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine?
The IUPAC name of N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine (CID 142500167) is N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine.
What is the SMILES notation for N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine?
The canonical SMILES for N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine is Brc1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)C2CCC3C2)cc1.
What is the InChIKey of N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine?
The InChIKey is YFZBAWBNQKRCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Br2N/c24-17-3-7-19(8-4-17)26(20-9-5-18(25)6-10-20)21-11-12-22-15-1-2-16(13-15)23(22)14-21/h3-12,14-16H,1-2,13H2.
What are the key properties of N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine?
N,N-bis(4-bromophenyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine has a molecular weight of 469.22 g/mol, XLogP of 8.05, 3 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)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine is sourced from PubChem (CID 142500167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).